SCHEMBL7840262

SCHEMBL7840262

CS(=O)(=O)c1ccccc1-c1sc(S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.54
PTGS1 P23219 3/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7846490 0.95 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7839941 0.92 PTGS2 (0.54) PTGS2PTGS1TP53MAPTKDM4E
SCHEMBL7846033 0.91 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL7845249 0.91 PTGS2 (0.50) PTGS2PTGS1ALOX5
SCHEMBL7832469 0.91 PTGS2 (0.49) PTGS2PTGS1ALOX5
SCHEMBL7847480 0.90 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL7841585 0.89 PTGS2 (0.48) PTGS2PTGS1ALOX5RAB9A
SCHEMBL7840994 0.87 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL7845128 0.86 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7842606 0.85 PTGS2 (0.51) PTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed