SCHEMBL7550669

SCHEMBL7550669

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(Br)c2)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.73
PTGS1 P23219 9/20 0.73
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 2/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6342176 0.92 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8315280 0.91 PTGS2 (0.74) PTGS2PTGS1SMN1; SMN2
SCHEMBL8317861 0.84 PTGS2 (1.00) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL7550702 0.84 PTGS2 (0.75) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL6353925 0.83 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA9
SCHEMBL8317163 0.83 PTGS2 (0.84) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8317359 0.82 PTGS2 (0.83) PTGS2PTGS1SMN1; SMN2CA1CA2
SCHEMBL8860043 0.82 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA9
SCHEMBL8317147 0.77 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL6343569 0.76 PTGS2 (0.69) PTGS2PTGS1SMN1; SMN2CA1CA2

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 15 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-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP claimed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN claimed
CN-101242875-A Ophthalmic composition containing mucoadhesive polysaccharides capable of promoting corneal re-epithelialization OPOCRIN SPA (IT) 2008-08-13 CN disclosed
CN-1137134-C Polyfluoroalkyl tryptophan tripeptide thrombin inhibitors ���µ�˹ҩ�﹫˾ 2004-02-04 CN disclosed
CN-1127484-C Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2003-11-12 CN disclosed
CN-1339020-A Process for producing vitamin DCV INC (US) 2002-03-06 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
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 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
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN disclosed