SCHEMBL5060128

SCHEMBL5060128

CCC(S)CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.57
CHRM1 P11229 1/20 0.45
AKR1A1 P14550 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM3 Q14832 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5058005 0.85 FOLH1 (0.53) FOLH1GRM3NAALAD2
SCHEMBL867829 0.83
SCHEMBL7614559 0.82 FOLH1 (0.54) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13726298 0.81 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL5054744 0.80 FOLH1 (0.61) FOLH1GRM3NAALAD2
SCHEMBL1722576 0.79 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL19817371 0.78 FOLH1 (0.53) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL108166 0.78 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL27958328 0.78 FOLH1 (0.53) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2230782 0.77 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093453-B1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARM INC (US) 2005-09-28 EP claimed
EP-1571141-A2 Naaladase inhibitors useful as pharmaceutical compounds and compositions GUILFORD PHARMACEUTICALS INC. (US) 2005-09-07 EP claimed
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease GUILFORD PHARMACEUTICALS INC. 2005-04-14 US claimed
US-6806261-B2 CONTROL RELEASE TRANSFORMING GROWTH FACTOR; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIPROLIFERATIVE AGENT GUILFORD PHARMACEUTICALS INC. 2004-10-19 US claimed
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
EP-1202717-B1 USE OF NAALADASE INHIBITORS FOR TREATING ANXIETY AND MEMORY DISORDERS GUILFORD PHARM INC (US) 2004-03-03 EP claimed
EP-1140048-B1 USE OF NAALADASE INHIBITORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CERTAIN DISEASES GUILFORD PHARM INC (US) 2003-09-03 EP claimed
WO-2003057154-A2 NAALADASE INHIBITORS FOR TREATING HUNTINGTON'S DISEASE GUILDFORD PHARMACEUTICALS INC. (US) 2003-07-17 WO claimed
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions JACKSON PAUL F (US) 2003-05-01 US claimed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-01-16 US claimed
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US claimed
US-6444657-B1 2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID; 2-(2-SULFANYLETHYL) PENTANEDIOIC ACID; EPITHELIAL TISSUE SCARRING, COLLAGEN VASCULAR DISEASE, FIBROPROLIFERATION, CONNECTIVE TISSUE DISORDER, RESPIRATORY DISTRESS SYNDROME; TGF REGULATOR GUILFORD PHARMACEUTICALS INC. 2002-09-03 US claimed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US claimed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
US-6228888-B1 Methods for treating anxiety, anxiety disorders and memory impairment using naaladase inhibitors GUILFORD PHARMACEUTICALS INC. 2001-05-08 US claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
EP-1093453-B1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARM INC (US) 2005-09-28 EP disclosed
EP-1571141-A2 Naaladase inhibitors useful as pharmaceutical compounds and compositions GUILFORD PHARMACEUTICALS INC. (US) 2005-09-07 EP disclosed
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease GUILFORD PHARMACEUTICALS INC. 2005-04-14 US disclosed
US-6806261-B2 CONTROL RELEASE TRANSFORMING GROWTH FACTOR; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIPROLIFERATIVE AGENT GUILFORD PHARMACEUTICALS INC. 2004-10-19 US disclosed
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
EP-1202717-B1 USE OF NAALADASE INHIBITORS FOR TREATING ANXIETY AND MEMORY DISORDERS GUILFORD PHARM INC (US) 2004-03-03 EP disclosed
EP-1371367-A1 Use of naaladase inhibitors for the manufacture of a medicament for the treatment of certain diseases GUILFORD PHARMACEUTICALS INC. (US) 2003-12-17 EP disclosed
EP-1140048-B1 USE OF NAALADASE INHIBITORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CERTAIN DISEASES GUILFORD PHARM INC (US) 2003-09-03 EP disclosed
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions JACKSON PAUL F (US) 2003-05-01 US disclosed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US disclosed
US-20030017965-A1 Methods for treating certain diseases using naaladase inhibitors EISAI INC. 2003-01-23 US disclosed
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-01-16 US disclosed
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US disclosed
US-6444657-B1 2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID; 2-(2-SULFANYLETHYL) PENTANEDIOIC ACID; EPITHELIAL TISSUE SCARRING, COLLAGEN VASCULAR DISEASE, FIBROPROLIFERATION, CONNECTIVE TISSUE DISORDER, RESPIRATORY DISTRESS SYNDROME; TGF REGULATOR GUILFORD PHARMACEUTICALS INC. 2002-09-03 US disclosed
EP-1202717-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2002-05-08 EP disclosed
US-6376478-B1 N-ACETYLATED (ALPHA)-LINKED ACIDIC DIPEPTIDASE INHIBITOR; BLOCKS RELEASE OF GLUTAMTE PRE-SYNAPTICALLY FOR REDUCED TOXICITY GUILFORD PHARMACEUTICALS INC. 2002-04-23 US disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
EP-1140048-A2 METHODS FOR TREATING CERTAIN DISEASES USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2001-10-10 EP disclosed
US-6228888-B1 Methods for treating anxiety, anxiety disorders and memory impairment using naaladase inhibitors GUILFORD PHARMACEUTICALS INC. 2001-05-08 US disclosed
EP-1093453-A1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2001-04-25 EP disclosed
WO-2001001974-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2001-01-11 WO disclosed
WO-2000038785-A2 METHODS FOR TREATING CERTAIN DISEASES USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-06 WO disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 FOLH1 432/4885CHRM1 4202/4885AKR1A1 2351/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA FOLH1 262/4885CHRM1 4623/4885AKR1A1 1704/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885CHRM1 2560/4885AKR1A1 598/4885
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors GRIN1, GRIN2A, GRIN2B FOLH1 224/4885CHRM1 1466/4885AKR1A1 1291/4885
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions NAALAD2, DNPEP, NAAA FOLH1 22/4885CHRM1 4653/4885AKR1A1 1726/4885
US-20030017965-A1 Methods for treating certain diseases using naaladase inhibitors NRDC, TGFB1, NAALAD2 FOLH1 1103/4885CHRM1 4417/4885AKR1A1 2699/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885CHRM1 2871/4885AKR1A1 370/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885CHRM1 3702/4885AKR1A1 304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.