SCHEMBL7841994

SCHEMBL7841994

CS(=O)(=O)c1ccc(-c2nc(CC#N)sc2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 2/20 0.74

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
SCHEMBL7832463 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7845360 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841835 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL8796884 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7832631 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6440951 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7841727 0.84 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841141 0.84 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841997 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7832465 0.83 PTGS2 (0.71) PTGS2PTGS1

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