SCHEMBL4369935

SCHEMBL4369935

O=C(O)C(CCCS)C(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
FOLH1 Q04609 8/20 0.50
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5060110 0.84 PTGS1 (0.52) CYP2D6FOLH1
SCHEMBL5051320 0.82 MME (0.52) CYP2D6FOLH1MAPK1
SCHEMBL5057985 0.81 MTNR1A (0.50) FOLH1LMNA
SCHEMBL5054430 0.80 GRM8 (0.47) LMNA
SCHEMBL5051123 0.80 SMN1; SMN2 (0.53) FOLH1LMNAMAPK1
SCHEMBL5060121 0.79 FOLH1 (0.50) FOLH1GRM2GRM3
SCHEMBL5217064 0.79 CYP2D6 (0.57) CYP2D6SRCLMNAMAPK1
SCHEMBL5052925 0.78 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1
SCHEMBL2387431 0.74 CYP2D6 (0.61) CYP2D6SRCLMNAMAPK1
SCHEMBL20875949 0.74 CYP2D6 (0.61) CYP2D6GRM2GRM3SRCLMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002057222-A9 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2004-05-06 WO claimed
US-20030216468-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-11-20 US claimed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 EP claimed
US-6586623-B2 Carbocyclic mercaptans such as 3-carboxy-alpha-(3-mercapto-propyl) benzenepropanoic acid, used as N-acetylated alpha-linked acidic dipeptidase(NAALADase) inhibitors and for medical diadnosis GUILFORD PHARMACEUTICALS INC. 2003-07-01 US claimed
US-20030105088-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-06-05 US claimed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO claimed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
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
US-7138543-B2 Thiolalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20060135812-A1 Thiol-based NAALADase inhibitors TSUKAMOTO TAKASHI 2006-06-22 US disclosed
US-20030105088-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-06-05 US disclosed
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity EISAI INC. 2003-05-29 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
WO-2002096866-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 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 (6 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-20060135812-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, GGCT CYP2D6 3706/4885FOLH1 7/4885GRM2 510/4885
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity NAALAD2, DNPEP, ALDH7A1 CYP2D6 2981/4885FOLH1 14/4885GRM2 636/4885
US-20030216468-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA CYP2D6 3474/4885FOLH1 6/4885GRM2 491/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL CYP2D6 2882/4885FOLH1 1/4885GRM2 3276/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA CYP2D6 3474/4885FOLH1 6/4885GRM2 491/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A CYP2D6 2755/4885FOLH1 124/4885GRM2 1377/4885

“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.