SCHEMBL1269653

SCHEMBL1269653

COC(=O)C(Cc1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.54
CACNA1C Q13936 2/20 0.54
TACR1 P25103 1/20 0.53
CYP3A4 P08684 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
KLK5 Q9Y337 1/20 0.48

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
SCHEMBL1269650 1.00 SCN9A (0.54) SCN9ACACNA1CTACR1CYP3A4SCN10A
SCHEMBL1270449 0.89 SCN9A (0.54) SCN9ACACNA1CCYP3A4SCN10ACTSS
SCHEMBL1270451 0.89 SCN9A (0.54) SCN9ACACNA1CCYP3A4SCN10ACTSS
SCHEMBL27564123 0.84 TACR1 (0.50) SCN9ACACNA1CTACR1CYP3A4SCN10A
SCHEMBL27564125 0.83 TACR1 (0.52) SCN9ATACR1CTSSCTSKKLK5
SCHEMBL28310184 0.82 KLK5 (0.54) TACR1CTSSCTSKKLK5
SCHEMBL2583495 0.82 KLK5 (0.54) TACR1CTSSCTSKKLK5
SCHEMBL24309187 0.82 TACR1 (0.55) SCN9ATACR1CTSSCTSKKLK5
SCHEMBL29478098 0.82 TACR1 (0.55) SCN9ATACR1CTSSCTSKKLK5
SCHEMBL7842742 0.82 TACR1 (0.55) SCN9ATACR1CTSSCTSKKLK5

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-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 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-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 SCN9A 160/4885CACNA1C 13/4885TACR1 373/4885

“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.