SCHEMBL14747600

SCHEMBL14747600

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccsc2CC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.69
PTGS1 P23219 14/20 0.69

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
SCHEMBL6349545 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL13238794 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL5698714 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6659189 0.81 CCNA2 (0.64) PTGS2PTGS1
SCHEMBL6343720 0.79 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6339161 0.78 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6353347 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6349858 0.76 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8933820 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6660718 0.76 CA9 (0.55) 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
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US disclosed
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US disclosed