SCHEMBL6096982

SCHEMBL6096982

OCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.61
CYP2C9 P11712 2/20 0.58
PDPK1 O15530 8/20 0.55
PTGS1 P23219 4/20 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
SCHEMBL6097735 0.89 PTGS1 (0.70) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL14504436 0.88 PTGS2 (0.61) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL5148765 0.86 PTGS2 (0.76) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL14504439 0.86 PTGS2 (0.63) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL6097021 0.85 PTGS2 (0.64) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL5148789 0.84 PTGS2 (0.56) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL14504406 0.83 PTGS2 (0.77) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL27531781 0.83 PTGS2 (0.61) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL27531784 0.82 PTGS2 (0.75) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL2852425 0.80 PTGS1 (0.82) PTGS2CYP2C9PDPK1PTGS1

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-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR PTGS2 10/4885CYP2C9 406/4885PDPK1 3822/4885

“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.