SCHEMBL7550487

SCHEMBL7550487

Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)sc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.76
PTGS1 P23219 12/20 0.67
PDPK1 O15530 3/20 0.65
PTGES O14684 2/20 0.65
CYP2C9 P11712 2/20 0.65
HDAC3 O15379 1/20 0.65
CA12 O43570 1/20 0.65
PDE5A O76074 1/20 0.65
ABCB11 O95342 1/20 0.65
MT-CO2 P00403 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
CA3 P07451 1/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX5 P09917 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2D6 P10635 1/20 0.65
ADRB3 P13945 1/20 0.65
ALOX15 P16050 1/20 0.65

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
SCHEMBL6349620 0.86 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6014018 0.82 PTGS2 (0.72) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6352112 0.81 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6352605 0.81 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9ALOX5
SCHEMBL6720492 0.80 PTGS2 (0.69) PTGS2PTGS1PDPK1CYP2C9ALOX5
SCHEMBL6516400 0.80 PTGS2 (0.83) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6014024 0.80 PTGS2 (0.69) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6014035 0.80 PTGS2 (0.65) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL3239998 0.79 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6342798 0.79 PTGS2 (0.78) PTGS2PTGS1PDPK1PTGESCYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP claimed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP disclosed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP disclosed