SCHEMBL7844602

SCHEMBL7844602

CC(C)(C)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2S(C)(=O)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
ALOX5 P09917 1/20 0.47
PTGS1 P23219 3/20 0.45

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
SCHEMBL7840342 0.89 PTGS2 (0.48) PTGS2ALOX5PTGS1
SCHEMBL7842558 0.86 PTGS2 (0.48) PTGS2ALOX5PTGS1
SCHEMBL7844187 0.84 PTGS2 (0.44) PTGS2ALOX5PTGS1
SCHEMBL7844008 0.84 PTGS2 (0.54) PTGS2ALOX5PTGS1
SCHEMBL7846096 0.84 SMN1; SMN2 (0.56)
SCHEMBL7839837 0.83 PTGS2 (0.68) PTGS2ALOX5PTGS1
SCHEMBL7842606 0.83 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL7833269 0.83 PTGS2 (0.64) PTGS2ALOX5PTGS1
SCHEMBL7843094 0.83 PTGS2 (0.43) PTGS2ALOX5PTGS1
SCHEMBL7846126 0.83 KMT2A (0.55)

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 4 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
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed