SCHEMBL7040937

SCHEMBL7040937

CS(=O)(=O)c1cnc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCCC3)nc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
PTGS1 P23219 2/20 0.59
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7041686 0.88 PTGS2 (0.55) PTGS2PTGS1CYP2C9
SCHEMBL6165668 0.88 PTGS1 (0.59) PTGS2PTGS1
SCHEMBL7043401 0.84 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL7045237 0.81 PTGS2 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL7045600 0.81 PDPK1 (0.60) PTGS2PTGS1CYP2C9
SCHEMBL7033183 0.76 PTGS2 (0.96) PTGS2PTGS1CYP2C9
SCHEMBL6339777 0.74 PTGS2 (1.00) PTGS2PTGS1CYP2C9
SCHEMBL8688622 0.74 PTGS2 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL7043237 0.73 PTGS2 (0.60) PTGS2PTGS1CYP2C9
SCHEMBL6165574 0.72

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 2 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
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US 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.