SCHEMBL6096423

SCHEMBL6096423

Cc1cc(C(F)(F)F)nn1-c1ccc(CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP1 O94782 5/20 0.45
STIM1 Q13586 2/20 0.45
ORAI1 Q96D31 2/20 0.45
PTGS2 P35354 4/20 0.44
PDPK1 O15530 4/20 0.44
CYP2C9 P11712 1/20 0.43
PTGS1 P23219 2/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL22122069 0.88 PTGS2 (0.55) USP1STIM1ORAI1PTGS2CYP2C9
SCHEMBL6100393 0.87 CDK8 (0.43) PTGS2MAPT
SCHEMBL15307368 0.84 PTGS2 (0.56) USP1STIM1ORAI1PTGS2PDPK1
SCHEMBL25297931 0.82 PDPK1 (0.54) USP1STIM1ORAI1PTGS2PDPK1
SCHEMBL18865512 0.82 KLKB1 (0.49) USP1STIM1ORAI1PTGS2PDPK1
SCHEMBL22122063 0.82 USP1 (0.48) USP1STIM1ORAI1PTGS2CYP2C9
SCHEMBL14504439 0.82 PTGS2 (0.63) PTGS2PDPK1CYP2C9PTGS1
SCHEMBL25235132 0.81 CYP2C9 (0.65) STIM1ORAI1PTGS2CYP2C9PTGS1
SCHEMBL31566340 0.80 STIM1 (0.46) STIM1ORAI1PTGS2PDPK1CYP2C9
SCHEMBL6098089 0.80 MAPT (0.50) MAPT

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 USP1 3865/4885STIM1 1092/4885ORAI1 615/4885

“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.