SCHEMBL10164609

SCHEMBL10164609

CNc1cc(CNC(=O)[C@@H]2C=CCN2S(=O)(=O)c2ccc(Cl)s2)cc(-c2ccc(C)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
KLKB1 P03952 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 3/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL894028 0.91 TRPA1 (0.42) TRPA1EPHX2
SCHEMBL10164500 0.90 VCP (0.39) TRPA1MEN1KMT2AALDH1A1LMNA
SCHEMBL10164538 0.90 ALDH1A1 (0.37) TRPA1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL10164528 0.89 TRPA1 (0.39) TRPA1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL10164672 0.88 TRPA1 (0.34) TRPA1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL10164669 0.87 TRPA1 (0.34) TRPA1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL10164546 0.87 CYP2C9 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10164560 0.87 ALDH1A1 (0.42) TRPA1KMT2AALDH1A1LMNAMAPT
SCHEMBL10164529 0.85 MMP8 (0.47) TRPA1MEN1KMT2AALDH1A1LMNA
SCHEMBL10164555 0.85 CYP3A4 (0.35) TRPA1ALDH1A1LMNAPOLBTP53

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 1/4885MEN1 4531/4885KMT2A 3371/4885

“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.