SCHEMBL13063002

SCHEMBL13063002

CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(NS(C)(=O)=O)c(I)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL3778347 0.89 TRPV1 (0.52) TRPV1
SCHEMBL3780053 0.89 TRPV1 (0.52) TRPV1
SCHEMBL3772541 0.89 ALDH1A1 (0.48) TRPV1NAMPTALDH1A1MEN1KMT2A
SCHEMBL3772539 0.89 ALDH1A1 (0.48) TRPV1NAMPTALDH1A1MEN1KMT2A
SCHEMBL3777528 0.87 TRPV1 (0.42) TRPV1NAMPTALDH1A1MEN1KMT2A
SCHEMBL3783093 0.87 TRPV1 (0.42) TRPV1NAMPTALDH1A1MEN1KMT2A
SCHEMBL4435928 0.85 TRPV1 (0.48) TRPV1
SCHEMBL4435931 0.85 TRPV1 (0.48) TRPV1
SCHEMBL4620691 0.84 EPHX2 (0.50) TRPV1NAMPTALDH1A1MEN1KMT2A
SCHEMBL3776096 0.81 TRPV1 (0.49) TRPV1

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-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885NAMPT 1265/4885ALDH1A1 797/4885

“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.