SCHEMBL8317359

SCHEMBL8317359

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c1Cl

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.83
PTGS1 P23219 6/20 0.83
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53

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) PTGS2PTGS1CA9CA12CA1
SCHEMBL8317163 0.89 PTGS2 (0.84) PTGS2PTGS1CA9CA12CA1
SCHEMBL6339181 0.88 PTGS2 (0.84) PTGS2PTGS1CA9CA1CA2
SCHEMBL6342540 0.87 PTGS2 (0.82) PTGS2PTGS1CA9CA1CA2
SCHEMBL7550702 0.86 PTGS2 (0.75) PTGS2PTGS1CA9CA12CA1
SCHEMBL8315280 0.83 PTGS2 (0.74) PTGS2PTGS1SMN1; SMN2
SCHEMBL7550669 0.82 PTGS2 (0.73) PTGS2PTGS1CA9CA12CA1
SCHEMBL6350819 0.81 PTGS2 (1.00) PTGS2PTGS1CA9CA12CA1
SCHEMBL8317147 0.81 PTGS2 (0.80) PTGS2PTGS1CA9CA12CA1
SCHEMBL6341762 0.80 PTGS2 (0.82) PTGS2PTGS1CA9CA1CA2

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 7 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-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed