SCHEMBL5060105

SCHEMBL5060105

O=C(O)c1cc(CC(CCCS)C(=O)O)cc(Oc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.64
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
AKR1C3 P42330 1/20 0.43
SRD5A2 P31213 1/20 0.41
CPA3 P15088 1/20 0.40

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
SCHEMBL5051120 0.86 FOLH1 (0.65) FOLH1PTGESALOX5PPARGSRD5A2
SCHEMBL5054646 0.85 FOLH1 (0.69) FOLH1PTGESALOX5PPARGCPA3
SCHEMBL5057981 0.84 FOLH1 (0.61) FOLH1PTGESALOX5PPARG
SCHEMBL5051236 0.83 FOLH1 (0.74) FOLH1
SCHEMBL5053331 0.81 FOLH1 (0.68) FOLH1CPA3
SCHEMBL5054570 0.80 FOLH1 (0.46) FOLH1PTGESALOX5PPARG
SCHEMBL5054573 0.79 FOLH1 (0.50) FOLH1PPARGAKR1C3
SCHEMBL2058464 0.78 FOLH1 (1.00) FOLH1
SCHEMBL5053104 0.77 FOLH1 (0.65) FOLH1
SCHEMBL5053346 0.76 FOLH1 (0.60) FOLH1PTGESALOX5PPARGCPA3

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 8 patents. 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
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 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 (3 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-20030216468-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885PTGES 298/4885ALOX5 1686/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885PTGES 4094/4885ALOX5 4088/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885PTGES 298/4885ALOX5 1686/4885

“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.