SCHEMBL6410104

SCHEMBL6410104

Cc1ccc2c(c1)CCc1c(C(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 8/20 0.54
PTGES O14684 2/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
HDAC3 O15379 1/20 0.41
PDPK1 O15530 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL6344383 0.88 PTGS2 (0.56) PTGS2PTGS1CA12CA1CA2
SCHEMBL8735027 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6339161 0.84 PTGS2 (0.74) PTGS2PTGS1PTGES
SCHEMBL8933926 0.82 PTGS2 (0.73) PTGS2PTGS1CA12CA1CA2
SCHEMBL8933871 0.82 PTGS2 (0.52) PTGS2PTGS1PTGESCA12CA1
SCHEMBL8765285 0.73 PTGS2 (0.60) PTGS2PTGS1PTGESCA12CA1
SCHEMBL6353347 0.72 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL9235959 0.72 PTGS2 (0.53) PTGS2PTGS1PTGESCA12CA1
SCHEMBL6794909 0.71 CCNA2 (0.62) PTGS2PTGS1CA1CA2CA9
SCHEMBL5258632 0.71 PTGS2 (0.52) 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 31 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 claimed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
EP-0924201-B1 Tricyclic-substituted pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2002-02-06 EP claimed
EP-0924201-A1 Tricyclic-substituted pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors G.D. SEARLE & CO. (US) 1999-06-23 EP claimed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP claimed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF COCOON BIOTECH INC. 2019-02-07 US disclosed
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
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-6156781-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
EP-0924201-A1 Tricyclic-substituted pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors G.D. SEARLE & CO. (US) 1999-06-23 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
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN 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 (3 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 539/4885PTGES 342/4885
US-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF MB, PTGES, PTGS1 PTGS2 12/4885PTGS1 3/4885PTGES 2/4885
US-20050131050-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation IRAK2, IRAK4, IRAK3 PTGS2 230/4885PTGS1 377/4885PTGES 387/4885

“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.