SCHEMBL4489012

SCHEMBL4489012

CCc1c(C(=O)O)nn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)c1C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.67
SCN10A Q9Y5Y9 2/20 0.55
CTSA P10619 1/20 0.44

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
SCHEMBL4498206 0.88 SCN9A (0.70) SCN9ASCN10A
SCHEMBL4491451 0.84 SCN9A (0.70) SCN9ASCN10A
SCHEMBL13710463 0.83 SCN9A (0.65) SCN9ASCN10A
SCHEMBL13710482 0.80 SCN9A (0.80) SCN9ASCN10A
SCHEMBL4494899 0.79 SCN9A (0.83) SCN9ASCN10A
SCHEMBL4501487 0.78 SCN9A (0.80) SCN9ASCN10A
SCHEMBL4485082 0.78 SCN9A (0.77) SCN9ASCN10A
SCHEMBL13710452 0.76 SCN9A (0.84) SCN9ASCN10A
SCHEMBL4498203 0.75 SCN9A (0.86) SCN9ASCN10A
SCHEMBL4491446 0.75 SCN9A (1.00) SCN9ASCN10A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 WO 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 78/4885SCN10A 64/4885CTSA 1786/4885

“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.