SCHEMBL6098326

SCHEMBL6098326

[CH2]Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.74
PTGS2 P35354 10/20 0.63
PDPK1 O15530 4/20 0.61
CYP2C9 P11712 1/20 0.58
MAPT P10636 1/20 0.53

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
SCHEMBL6097021 0.88 PTGS2 (0.64) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6451398 0.85 PTGS1 (1.00) PTGS1PTGS2PDPK1MAPT
SCHEMBL6097275 0.84 PTGS1 (0.70) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6097735 0.84 PTGS1 (0.70) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL14198881 0.82 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL3277875 0.82 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6266521 0.82 PTGS1 (0.80) PTGS1PTGS2PDPK1CYP2C9MAPT
SCHEMBL27602808 0.81 PTGS1 (0.74) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL14747801 0.81 PTGS1 (0.74) PTGS1PTGS2PDPK1CYP2C9MAPT
SCHEMBL6100051 0.80 USP8 (0.52) PTGS1CYP2C9MAPT

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 PTGS1 2/4885PTGS2 10/4885PDPK1 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.