SCHEMBL6005089

SCHEMBL6005089

Cc1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 1.00
PTGS1 P23219 6/20 1.00
PDPK1 O15530 5/20 0.77
PTGES O14684 2/20 0.77
CYP2C9 P11712 2/20 0.77
HDAC3 O15379 1/20 0.77
CA12 O43570 1/20 0.77
PDE5A O76074 1/20 0.77
ABCB11 O95342 1/20 0.77
MT-CO2 P00403 1/20 0.77
CA1 P00915 1/20 0.77
CA2 P00918 1/20 0.77
LMNA P02545 1/20 0.77
CA3 P07451 1/20 0.77
CYP3A4 P08684 1/20 0.77
ALOX5 P09917 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
CYP2D6 P10635 1/20 0.77
ADRB3 P13945 1/20 0.77
ALOX15 P16050 1/20 0.77

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
SCHEMBL29433466 1.00 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL6343096 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
Celecoxib SCHEMBL3708 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
Celecoxib SCHEMBL3669597 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL213784 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
SCHEMBL3243744 0.86 PTGS2 (0.77) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL5674001 0.86 PDPK1 (1.00) PTGS2PTGS1PDPK1PTGESCYP2C9
Celecoxib SCHEMBL6600270 0.86 PTGS2 (0.98) PTGS2PTGS1PDPK1PTGESCYP2C9
Celecoxib SCHEMBL3785427 0.86 PTGS2 (0.98) PTGS2PTGS1PDPK1PTGESCYP2C9
Celecoxib SCHEMBL9998656 0.86 PTGS2 (0.98) PTGS2PTGS1PDPK1PTGESCYP2C9

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 55 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
EP-1296679-B1 DERMAL THERAPEUTIC SYSTEM CONTAINING NON-STEROIDAL ANTIPHLOGISTICS WITH SELECTIVE COX-2 INHIBITION LOHMANN THERAPIE SYST LTS (DE) 2006-03-15 EP claimed
US-20050075359-A1 Large conductance calcium-activated K channel opener TANABE SEIYAKU CO., LTD. (JP) 2005-04-07 US claimed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
EP-1400243-A1 Calcium-activated K channel activator TANABE SEIYAKU CO., LTD. (JP) 2004-03-24 EP claimed
US-6492411-B1 TREATING ARTHRITIS; REDUCED SIDE EFFECTS G. D. SEARLE & CO. 2002-12-10 US claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
US-6413960-B1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS; ACTIVE IN REDUCING PROSTAGLANDIN-INDUCED PAIN AND SWELLING; ANALGESICS; ANTIPYRETICS; ARTHRITIS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-07-02 US claimed
EP-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 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
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN 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
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-20230398072-A1 CONCENTRATE CONTAINING POORLY SOLUBLE DRUG AND EMULSION PREPARED THEREFROM BEIJING DELIVERY PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-12-14 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-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 PTGS2 279/4885PTGS1 539/4885PDPK1 2938/4885
US-20050075359-A1 Large conductance calcium-activated K channel opener KCNN3, KCNN2, KCNN1 PTGS2 806/4885PTGS1 760/4885PDPK1 1407/4885

“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.