SCHEMBL5054646

SCHEMBL5054646

O=C(O)C(CCCS)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.69
PPARG P37231 3/20 0.51
PPARA Q07869 2/20 0.51
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CPA3 P15088 1/20 0.48

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
SCHEMBL5053346 0.87 FOLH1 (0.60) FOLH1PPARGPPARAPTGESALOX5
SCHEMBL5060105 0.85 FOLH1 (0.64) FOLH1PPARGPTGESALOX5CPA3
SCHEMBL28893490 0.84 CYP1A2 (0.65) FOLH1PPARGPPARAMMEACE
SCHEMBL5054359 0.83 FOLH1 (1.00) FOLH1CPA1CPA3
SCHEMBL5058027 0.82 FOLH1 (0.75) FOLH1CPA3
SCHEMBL22764737 0.81 FOLH1 (0.52) FOLH1PPARGPPARAPTGESALOX5
SCHEMBL5054395 0.80 FOLH1 (0.70) FOLH1ACECPA3
SCHEMBL2058464 0.80 FOLH1 (1.00) FOLH1
SCHEMBL5060115 0.77 FOLH1 (0.67) FOLH1CPA3
SCHEMBL5053199 0.76 FOLH1 (0.66) FOLH1PPARGPPARACPA3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 US claimed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 US claimed
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-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 (4 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 6/4885PPARG 3596/4885PPARA 3929/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885PPARG 751/4885PPARA 361/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885PPARG 3596/4885PPARA 3929/4885
US-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 FOLH1 3/4885PPARG 3478/4885PPARA 3697/4885

“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.