SCHEMBL7045237

SCHEMBL7045237

CS(=O)(=O)c1cnc(-n2nc(C(F)(F)F)cc2-c2ccccc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.70
PTGS1 P23219 3/20 0.57
RXRA P19793 2/20 0.55
NR1H2 P55055 2/20 0.55
NR1H3 Q13133 2/20 0.55
CYP2C9 P11712 1/20 0.55
PDPK1 O15530 1/20 0.54

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
SCHEMBL7045600 0.87 PDPK1 (0.60) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL7046815 0.86 PTGS2 (0.61) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL6165949 0.85 PTGS2 (0.70) PTGS2
SCHEMBL6164085 0.83 PTGS2 (0.67) PTGS2
SCHEMBL8610309 0.82 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL7041487 0.81 PTGS2 (0.72) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL7040937 0.81 PTGS2 (0.59) PTGS2PTGS1CYP2C9
SCHEMBL6168468 0.80 PTGS2 (0.72) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL8765387 0.80 PTGS2 (0.90) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL27630115 0.78 PTGS2 (0.47) PTGS2PTGS1

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
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
CN-1423646-A Hetero cyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-06-11 CN 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 1/4885RXRA 1530/4885

“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.