SCHEMBL6720436

SCHEMBL6720436

Cc1cc(C)cc(COc2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.59
PTGS2 P35354 14/20 0.56
PTGS1 P23219 11/20 0.56
PTGES O14684 2/20 0.56
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
PDE5A O76074 1/20 0.56
ABCB11 O95342 1/20 0.56
MT-CO2 P00403 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
LMNA P02545 1/20 0.56
CA3 P07451 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX5 P09917 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRB3 P13945 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL5698629 0.87 PDPK1 (0.62) PDPK1PTGS2PTGS1
SCHEMBL3107359 0.84 PTGS2 (0.69) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL27519816 0.84 PTGS2 (0.59) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL8693421 0.82 PDPK1 (0.41) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL3109092 0.80 PTGS2 (0.60) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL6389180 0.79 PTGS2 (0.53) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL24736248 0.76 PTGS2 (0.68) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL5429991 0.76 PTGS2 (0.60) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL21981248 0.75 PTGS2 (0.50) PDPK1PTGS2PTGS1PTGESHDAC3
SCHEMBL5674001 0.74 PDPK1 (1.00) PDPK1PTGS2PTGS1PTGESHDAC3

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 12 patents. 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
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 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
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
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP disclosed
EP-0923933-A1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation G.D. SEARLE & CO. (US) 1999-06-23 EP disclosed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 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 (1 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 PDPK1 2938/4885PTGS2 279/4885PTGS1 539/4885

“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.