SCHEMBL5229949

SCHEMBL5229949

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 1.00
PTGS1 P23219 6/20 1.00
CYP2C9 P11712 2/20 0.81
PTGES O14684 1/20 0.65
HDAC3 O15379 1/20 0.65
PDPK1 O15530 1/20 0.65
CA12 O43570 1/20 0.65
PDE5A O76074 1/20 0.65
ABCB11 O95342 1/20 0.65
MT-CO2 P00403 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
CA3 P07451 1/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX5 P09917 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2D6 P10635 1/20 0.65
ADRB3 P13945 1/20 0.65
ALOX15 P16050 1/20 0.65

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
Sc-58125 SCHEMBL12375146 1.00 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3
Sc-58125 SCHEMBL214120 1.00 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL8640401 0.90 PTGS2 (0.82) PTGS2PTGS1CYP2C9
SCHEMBL9003046 0.90 PTGS2 (0.82) PTGS2PTGS1CYP2C9
SCHEMBL8954103 0.90 PTGS2 (0.81) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6378189 0.90 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL8953888 0.90 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL8953873 0.89 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL8953883 0.89 PTGS2 (0.80) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL8636647 0.89 PTGS2 (1.00) PTGS2PTGS1CYP2C9PTGESHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 EP claimed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO claimed
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
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US disclosed
EP-1599202-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-11-30 EP disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed
US-6951949-B2 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed
US-5475018-A Antiinflammatory agent, antiarthritic agent; analgesics and antipyretics G. D. SEARLE & CO. (US) 1995-12-12 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US disclosed
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 PTGS2 2824/4885PTGS1 2360/4885CYP2C9 3988/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 PTGS2 137/4885PTGS1 202/4885CYP2C9 799/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 PTGS2 22/4885PTGS1 18/4885CYP2C9 1257/4885

“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.