SCHEMBL5053288

SCHEMBL5053288

COc1cc(OC)cc(OC(CCCS)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.59
PPARG P37231 7/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARA Q07869 6/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL1566435 0.86 PPARG (0.61) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL5054549 0.79 FOLH1 (0.73) FOLH1PPARGPPARA
SCHEMBL5057853 0.76 FOLH1 (0.72) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL121365 0.76 FOLH1 (0.53) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL1565567 0.76 PPARG (0.61) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL5057796 0.76 FOLH1 (0.60) FOLH1PPARGPPARA
SCHEMBL5053326 0.76 FOLH1 (0.80) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL5059904 0.76 FOLH1 (0.63) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL5054619 0.75 FOLH1 (0.72) FOLH1PPARGPPARAKMT2AMAPK1
SCHEMBL5053092 0.75 FOLH1 (1.00) FOLH1KMT2A

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-6812364-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; ANTICANCER AGENTS GUILFORD PHARMACEUTICALS INC. 2004-11-02 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
US-6812364-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; ANTICANCER AGENTS GUILFORD PHARMACEUTICALS INC. 2004-11-02 US 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 6/4885PPARG 3596/4885PTGES 298/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885PPARG 751/4885PTGES 4094/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885PPARG 3596/4885PTGES 298/4885

“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.