SCHEMBL5226958

SCHEMBL5226958

Cc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 1.00
ALOX5 P09917 2/20 0.78
CYP2C9 P11712 2/20 0.71
PTGS1 P23219 5/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
CA9 Q16790 6/20 0.67
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
PDPK1 O15530 2/20 0.65
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
PTGES O14684 1/20 0.58
HDAC3 O15379 1/20 0.58
CA12 O43570 1/20 0.58
PDE5A O76074 1/20 0.58
ABCB11 O95342 1/20 0.58
MT-CO2 P00403 1/20 0.58
LMNA P02545 1/20 0.58
CA3 P07451 1/20 0.58

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
SCHEMBL14280457 0.94 PTGS2 (0.90) PTGS2ALOX5CYP2C9PTGS1NPC1
SCHEMBL2602400 0.89 PTGS2 (0.80) PTGS2ALOX5CYP2C9PTGS1CA9
SCHEMBL3103964 0.88 PTGS2 (0.78) PTGS2ALOX5CYP2C9PTGS1CA9
SCHEMBL17369546 0.87 ALOX5 (1.00) PTGS2ALOX5CYP2C9PTGS1NPC1
SCHEMBL3109354 0.87 PTGS2 (0.77) PTGS2ALOX5CYP2C9PTGS1NPC1
SCHEMBL5698671 0.86 PTGS2 (0.76) PTGS2PTGS1PDPK1
SCHEMBL5698606 0.86 PTGS2 (0.76) PTGS2PTGS1PDPK1
SCHEMBL2615132 0.86 PTGS2 (0.76) PTGS2ALOX5CYP2C9PTGS1CA9
SCHEMBL2602398 0.86 PTGS2 (0.75) PTGS2ALOX5CYP2C9PTGS1CA9
SCHEMBL5698730 0.84 CYP2C9 (0.85) PTGS2CYP2C9PTGS1CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 US disclosed
US-9012647-B2 Nitroxide modified non-steroidal anti-inflammatory compounds and uses thereof in the treatment and prevention of diseases or disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-04-21 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
CN-100379727-C Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2008-04-09 CN disclosed
US-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 US 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
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 (4 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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A PTGS2 1/4885ALOX5 1074/4885CYP2C9 2620/4885
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 PTGS2 1505/4885ALOX5 213/4885CYP2C9 4240/4885
US-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 PTGS2 329/4885ALOX5 1571/4885CYP2C9 1064/4885
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 12/4885ALOX5 276/4885CYP2C9 584/4885

“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.