SCHEMBL7841997

SCHEMBL7841997

CS(=O)(=O)c1ccccc1-c1nc(CC#N)sc1-c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.71
PTGS1 P23219 3/20 0.51
ALOX5 P09917 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
SCHEMBL7832465 0.91 PTGS2 (0.71) PTGS2PTGS1ALOX5
SCHEMBL7841143 0.86 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7846952 0.84 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7832959 0.83 PTGS2 (0.54) PTGS2PTGS1ALOX5
SCHEMBL7841994 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832463 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7843555 0.83 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL8796884 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7844215 0.82 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7840138 0.82 PTGS2 (0.53) 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