SCHEMBL5052865

SCHEMBL5052865

CCCC(CS)CC(CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.58
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
GRIK1 P39086 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIK2 Q13002 1/20 0.44
GSTK1 Q9Y2Q3 2/20 0.42
GRM3 Q14832 2/20 0.41

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
SCHEMBL5053111 0.88 FOLH1 (0.60) FOLH1GSTK1GRM3ANPEPENPEP
SCHEMBL3809808 0.81 GRIK1 (0.51) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL12663338 0.81 GSTK1 (0.55) FOLH1HDAC1HDAC2GSTK1ANPEP
SCHEMBL28186629 0.79 FOLH1 (0.48) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7839779 0.79 FOLH1 (0.52) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2230782 0.77 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL19819308 0.77 FOLH1 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5058030 0.77 FOLH1 (0.64) FOLH1GRM3ANPEPENPEP
Bromide SCHEMBL7659007 0.75 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL27682490 0.75 CHRM1 (0.73) 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 48 patents — showing the first 20. 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
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-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS 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
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 (7 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-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.