SCHEMBL215463

SCHEMBL215463

CN(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 1.00
PTGS1 P23219 12/20 1.00
PDPK1 O15530 6/20 0.77
CYP2C9 P11712 2/20 0.77
PTGES O14684 1/20 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
SCHEMBL6342351 0.90 PTGS2 (0.90) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6343745 0.89 PTGS2 (0.80) PTGS2PTGS1PDPK1CYP2C9PTGES
Sulfamide SCHEMBL7145178 0.88 PTGS2 (0.79) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6502162 0.88 PTGS2 (0.78) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6345463 0.88 PTGS2 (0.78) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL3669597 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL3708 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL9998656 0.86 PTGS2 (0.98) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL5673015 0.86 PDPK1 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL354683 0.86 PTGS2 (0.98) PTGS2PTGS1PDPK1CYP2C9PTGES

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 311 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-1977749-A1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia G.D. Searle LLC (US) 2008-10-08 EP claimed
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
EP-1539142-A2 USE OF AN AMYLOID BETA VACCINATION IN COMBINATION WITH A SELECTIVE COX-2 INHIBITOR FOR THE TREATMENT OF ALZHEIMER S DISEASE Pharmacia Corporation (US) 2005-06-15 EP claimed
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
US-20040242667-A1 Method of using cyclooxegenase-2 inhibitors in the treatment and prevention of dementia G.D. SEARLE & CO. 2004-12-02 US claimed
EP-1463500-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-10-06 EP claimed
WO-1998016227-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1998-04-23 WO claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 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-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO 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

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-20040242667-A1 Method of using cyclooxegenase-2 inhibitors in the treatment and prevention of dementia PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885PDPK1 2092/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885PDPK1 3176/4885

“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.