SCHEMBL7842566

SCHEMBL7842566

CC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccccc2S(C)(=O)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.49
ALOX5 P09917 1/20 0.47
PTGS1 P23219 3/20 0.42

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
SCHEMBL7844766 0.91 PTGS2 (0.49) PTGS2ALOX5PTGS1
SCHEMBL7845086 0.89 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7840945 0.89 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7842262 0.88 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7846162 0.87 PTGS2 (0.46) PTGS2ALOX5
SCHEMBL7845243 0.86 PTGS2 (0.45) PTGS2ALOX5PTGS1
SCHEMBL7842019 0.86 ATR (0.46) PTGS2ALOX5
SCHEMBL7842493 0.86 PTGS2 (0.45) PTGS2ALOX5PTGS1
SCHEMBL7832470 0.85 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7841887 0.85 PTGS2 (0.43) PTGS2ALOX5

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