SCHEMBL10164669

SCHEMBL10164669

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3ccncc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.34
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
EPHX2 P34913 1/20 0.32
RECQL P46063 1/20 0.32
KLKB1 P03952 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10164672 0.94 TRPA1 (0.34) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL893449 0.93 TRPA1 (0.40) TRPA1
SCHEMBL10164555 0.92 CYP3A4 (0.35) TRPA1ALDH1A1LMNARECQLTP53
SCHEMBL10164538 0.89 ALDH1A1 (0.37) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL894677 0.88 TRPA1 (0.40) TRPA1EPHX2
SCHEMBL10164609 0.87 TRPA1 (0.38) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL10164663 0.87 TRPA1 (0.45) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL893072 0.86 TRPA1 (0.39) TRPA1MAPT
SCHEMBL10164684 0.86 TRPA1 (0.42) TRPA1ALDH1A1TP53
SCHEMBL10164658 0.85 TRPA1 (0.37) TRPA1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885ALDH1A1 1469/4885MEN1 4531/4885

“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.