SCHEMBL4425786

SCHEMBL4425786

CC(=O)N1CC(NC(=O)OC(C)(C)C)C(=O)N(CC(F)(F)F)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.54
XIAP P98170 6/20 0.44
SCN10A Q9Y5Y9 1/20 0.42
CYP3A4 P08684 3/20 0.40

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
SCHEMBL4425777 1.00 SCN9A (0.54) SCN9AXIAPSCN10ACYP3A4
SCHEMBL4425221 0.89 SCN9A (0.54) SCN9AXIAPSCN10ACYP3A4
SCHEMBL4246920 0.88 SCN9A (0.51) SCN9AXIAPSCN10ACYP3A4
SCHEMBL4246925 0.88 SCN9A (0.51) SCN9AXIAPSCN10ACYP3A4
SCHEMBL4427745 0.86 SCN9A (0.55) SCN9ASCN10A
SCHEMBL4427738 0.86 SCN9A (0.55) SCN9ASCN10A
SCHEMBL13310794 0.83 SCN9A (0.75) SCN9A
SCHEMBL4435805 0.83 SCN9A (0.52) SCN9AXIAP
SCHEMBL5547781 0.83 SCN9A (0.52) SCN9AXIAP
SCHEMBL6179477 0.82 XIAP (0.44) SCN9AXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 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-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP SCN9A 599/4885XIAP 3379/4885SCN10A 613/4885

“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.