SCHEMBL8317861

SCHEMBL8317861

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 1.00
PTGS1 P23219 8/20 1.00
SMN1; SMN2 Q16637 1/20 0.65
CA1 P00915 6/20 0.60
CA2 P00918 6/20 0.60
CA9 Q16790 6/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 5/20 0.59
CHRNA7 P36544 2/20 0.54

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
SCHEMBL8317163 0.91 PTGS2 (0.84) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8317359 0.91 PTGS2 (0.83) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8317147 0.89 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL6342192 0.87 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL6339325 0.87 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL7550702 0.86 PTGS2 (0.75) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8315280 0.85 PTGS2 (0.74) PTGS2PTGS1SMN1; SMN2
SCHEMBL8112187 0.84 PTGS2 (0.73) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL7550669 0.84 PTGS2 (0.73) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL6341478 0.81 PTGS2 (0.79) 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