SCHEMBL6339092

SCHEMBL6339092

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 1.00
PTGS1 P23219 8/20 0.76
PDPK1 O15530 6/20 0.73
CYP2C9 P11712 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
PTGES O14684 1/20 0.66
HDAC3 O15379 1/20 0.66
CA12 O43570 1/20 0.66
PDE5A O76074 1/20 0.66
ABCB11 O95342 1/20 0.66
MT-CO2 P00403 1/20 0.66
LMNA P02545 1/20 0.66
CA3 P07451 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX5 P09917 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2D6 P10635 1/20 0.66
ADRB3 P13945 1/20 0.66

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
SCHEMBL6520774 0.94 PTGS2 (0.89) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL213784 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL16026032 0.86 PTGS2 (0.74) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL7319101 0.85 PTGS2 (0.74) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL6341797 0.85 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL6342351 0.85 PTGS2 (0.90) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL3109354 0.84 PTGS2 (0.77) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL5923919 0.84 PDPK1 (1.00) PTGS2PTGS1PDPK1CYP2C9CA1
SCHEMBL16025944 0.84 PTGS2 (0.83) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6515858 0.84 PDPK1 (0.77) PTGS2PTGS1PDPK1CYP2C9CA1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268614-C Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2006-08-09 CN claimed
CN-1699347-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2005-11-23 CN claimed
US-20050075359-A1 Large conductance calcium-activated K channel opener TANABE SEIYAKU CO., LTD. (JP) 2005-04-07 US claimed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN claimed
EP-1400243-A1 Calcium-activated K channel activator TANABE SEIYAKU CO., LTD. (JP) 2004-03-24 EP claimed
EP-0922697-B1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2003-02-26 EP claimed
EP-0922697-A1 Substituted Pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors G.D. SEARLE & CO. (US) 1999-06-16 EP 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
EP-3413889-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS SILK FIBROIN AND A GELLING AGENT AND USES THEREOF Cocoon Biotech Inc. (US) 2018-12-19 EP disclosed
WO-2017139684-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS SILK FIBROIN AND A GELLING AGENT AND USES THEREOF COCOON BIOTECH INC. (US) 2017-08-17 WO 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
CN-100379727-C Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2008-04-09 CN disclosed
US-5563165-A PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX G. D. SEARL & CO. (US) 1996-10-08 US disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
US-5521207-A Substituted pyrazolyl benzenesulfonamide for the treatment of inflammation G.D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5516907-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5508426-A ANTIARTHRITIC AGENT G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US 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-20050075359-A1 Large conductance calcium-activated K channel opener KCNN3, KCNN2, KCNN1 PTGS2 806/4885PTGS1 760/4885PDPK1 1407/4885
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 3/4885PDPK1 4020/4885

“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.