SCHEMBL6352841

SCHEMBL6352841

C[C@@H](C(=O)O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.72
PTGS1 P23219 6/20 0.72
CA9 Q16790 4/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CYP2C9 P11712 1/20 0.60
PDPK1 O15530 1/20 0.58
EPHX2 P34913 1/20 0.54
MMP2 P08253 1/20 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
SCHEMBL6341959 1.00 PTGS2 (0.72) PTGS2PTGS1CA9CA1CA2
SCHEMBL6341957 1.00 PTGS2 (0.72) PTGS2PTGS1CA9CA1CA2
SCHEMBL8688923 0.92 PTGS2 (0.71) PTGS2PTGS1CA9CA1CA2
SCHEMBL5423345 0.91 PTGS2 (0.73) PTGS2PTGS1CA9CA1CA2
SCHEMBL27458386 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL27458739 0.90 PTGS2 (0.72) PTGS2PTGS1PDPK1
SCHEMBL8691051 0.89 PTGS2 (0.67) PTGS2PTGS1CA9CA1CA2
SCHEMBL8688661 0.87 PTGS2 (0.64) PTGS2PTGS1CA9CA1CA2
SCHEMBL8688729 0.84 PTGS2 (0.61) PTGS2PTGS1CA9CA1CA2
SCHEMBL215341 0.84 PTGS2 (1.00) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US disclosed
CN-101242875-A Ophthalmic composition containing mucoadhesive polysaccharides capable of promoting corneal re-epithelialization OPOCRIN SPA (IT) 2008-08-13 CN disclosed
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
US-6951949-B2 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US disclosed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN disclosed
US-6716991-B1 REACTING ETHYL DIFLUOROACETATE AND 4'-CHLOROACETOPHENONE PRODUCING 4,4-DIFLUORO-1-(4-(CHLORO)PHENYL)-BUTANE-1,3-DIONE AND REACTING WITH 4-SULPHONAMIDOPHENYL HYDRAZINE HYDROCHLORIDE G. D. SEARLE & CO. 2004-04-06 US disclosed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
US-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
EP-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP disclosed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP disclosed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN disclosed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP disclosed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO disclosed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 PTGS2 279/4885PTGS1 539/4885CA9 3339/4885
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation IRAK2, IRAK4, IRAK3 PTGS2 230/4885PTGS1 377/4885CA9 3268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.