SCHEMBL8733986

SCHEMBL8733986

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.60
PTGS1 P23219 5/20 0.60
PDPK1 O15530 5/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL8692916 0.83 PTGS2 (0.60) PTGS2PTGS1ALDH1A1CA1CA2
SCHEMBL8423935 0.79 CHRNA7 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL5429991 0.79 PTGS2 (0.60) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5698629 0.79 PDPK1 (0.62) PTGS2PTGS1PDPK1
SCHEMBL8638165 0.78 PTGS2 (0.60) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8632975 0.77 CA1 (0.56) PTGS2PTGS1KDM4EALDH1A1CA1
SCHEMBL5422320 0.77 PTGS2 (0.67) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL3109092 0.76 PTGS2 (0.60) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL27716957 0.76 ALDH1A1 (0.50) KDM4EALDH1A1
SCHEMBL3107359 0.75 PTGS2 (0.69) PTGS2PTGS1PDPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100379727-C Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2008-04-09 CN disclosed
CN-1268614-C Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2006-08-09 CN disclosed
CN-1699347-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2005-11-23 CN disclosed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN disclosed
CN-1134418-C Substituted pyrazolyl benzenesulfonamides for treating inflammation - 2004-01-14 CN disclosed
CN-1127484-C Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2003-11-12 CN disclosed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1280125-A Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN disclosed