SCHEMBL6165751

SCHEMBL6165751

CN(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.67
PTGS1 P23219 4/20 0.67
CYP2C9 P11712 2/20 0.56
PTGES O14684 1/20 0.50
HDAC3 O15379 1/20 0.50
PDPK1 O15530 1/20 0.50
CA12 O43570 1/20 0.50
PDE5A O76074 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
ADRB3 P13945 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL6168792 0.88 PTGS2 (0.73) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6167128 0.88 PTGS2 (0.73) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6169025 0.87 PTGS2 (0.65) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6166770 0.87 PTGS2 (0.65) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6168468 0.87 PTGS2 (0.72) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6164092 0.85 PTGS2 (0.67) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6957094 0.84 PTGS2 (0.55) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6167000 0.84 PTGS2 (0.57) PTGS2PTGS1CYP2C9PTGESHDAC3
SCHEMBL6164242 0.82 PDPK1 (0.66) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6168307 0.81 PTGS2 (0.58) PTGS2PTGS1CYP2C9PDPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP claimed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US claimed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US claimed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP claimed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 PTGS2 4/4885PTGS1 1/4885CYP2C9 92/4885

“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.