SCHEMBL10164500

SCHEMBL10164500

Cc1ccc(-c2cc(CNC(=O)C3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCP P55072 15/20 0.39
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10164538 0.94 ALDH1A1 (0.37) VCPTRPA1MEN1KMT2AALDH1A1
SCHEMBL10164546 0.93 CYP2C9 (0.41) MEN1KMT2AALDH1A1LMNA
SCHEMBL10164560 0.91 ALDH1A1 (0.42) TRPA1KMT2AALDH1A1LMNA
SCHEMBL10202205 0.91 VCP (0.44) VCPTRPA1
SCHEMBL893858 0.91 VCP (0.44) VCPTRPA1
SCHEMBL10164609 0.90 TRPA1 (0.38) TRPA1MEN1KMT2AALDH1A1LMNA
SCHEMBL10164672 0.89 TRPA1 (0.34) VCPTRPA1MEN1KMT2AALDH1A1
SCHEMBL10164505 0.86 L3MBTL1 (0.46) TRPA1ALDH1A1LMNA
SCHEMBL10164586 0.86 LMNA (0.41) TRPA1MEN1KMT2AALDH1A1LMNA
SCHEMBL894607 0.85 TRPA1 (0.40) VCPTRPA1

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 VCP 2458/4885TRPA1 1/4885MEN1 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.