SCHEMBL6166838

SCHEMBL6166838

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.56
PTGS1 P23219 9/20 0.55
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6167173 0.89 PTGS2 (0.57) PTGS2PTGS1CYP2C9
SCHEMBL6165959 0.89 PTGS2 (0.69) PTGS2PTGS1CYP2C9
SCHEMBL6168307 0.86 PTGS2 (0.58) PTGS2PTGS1CYP2C9
SCHEMBL6169025 0.85 PTGS2 (0.65) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6721609 0.85 PTGS2 (0.61) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6735059 0.84 PTGS2 (0.56) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6953364 0.84 PTGS2 (0.55) PTGS2PTGS1CYP2C9
SCHEMBL8069691 0.83 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL6722980 0.83 PTGS2 (0.59) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6340118 0.82 PTGS2 (0.82) PTGS2PTGS1CYP2C9CYP3A4TSHR

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 5 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 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.