SCHEMBL8317163

SCHEMBL8317163

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.84
PTGS1 P23219 8/20 0.84
CA1 P00915 7/20 0.57
CA2 P00918 7/20 0.57
CA9 Q16790 7/20 0.57
CA12 O43570 2/20 0.57
CA4 P22748 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
CHRNA7 P36544 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
SCHEMBL8317861 0.91 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL8317359 0.89 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA9
SCHEMBL6341313 0.88 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA9
SCHEMBL6343044 0.88 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA9
SCHEMBL8688958 0.87 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA9
SCHEMBL7550702 0.84 PTGS2 (0.75) PTGS2PTGS1CA1CA2CA9
SCHEMBL8315280 0.83 PTGS2 (0.74) PTGS2PTGS1SMN1; SMN2
SCHEMBL7550669 0.83 PTGS2 (0.73) PTGS2PTGS1CA1CA2CA9
SCHEMBL8317147 0.81 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL7653232 0.79 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA9

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-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
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
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed