SCHEMBL6096679

SCHEMBL6096679

COc1ccc(-c2c(C)nn(-c3ccc(CCOS(C)(=O)=O)cc3)c2C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.42
PTGS2 P35354 4/20 0.38
CRHR1 P34998 2/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL6096532 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CRHR1
SCHEMBL6099027 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CRHR1POLBTDP1
SCHEMBL6097890 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CRHR1MAPK1
SCHEMBL6096391 0.80 POLB (0.41) SMN1; SMN2CYP1A2POLB
SCHEMBL6096477 0.75 PTGER4 (0.51) SMN1; SMN2POLBTDP1
SCHEMBL31490068 0.73 CA2 (0.55) SMN1; SMN2CYP1A2POLB
SCHEMBL2959929 0.73 CA2 (0.55) SMN1; SMN2CYP1A2POLB
SCHEMBL6098438 0.72 ALOX5 (0.35) CYP1A2PTGS2MAPK1POLBTDP1
SCHEMBL6094995 0.70 PTGS2 (0.41) CYP1A2PTGS2POLB
SCHEMBL6173067 0.68 SMN1; SMN2 (0.57) SMN1; SMN2CRHR1POLBPDE4D

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 SMN1; SMN2 4491/4885CYP1A2 670/4885PTGS2 10/4885

“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.