SCHEMBL10164672

SCHEMBL10164672

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3ccccc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.34
TPH1 P17752 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
BMP1 P13497 1/20 0.32
KLKB1 P03952 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
VCP P55072 1/20 0.31
TP53 P04637 1/20 0.31
CCR4 P51679 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
SCHEMBL10164669 0.94 TRPA1 (0.34) TRPA1POLBMEN1KMT2AEPHX2
SCHEMBL10164555 0.93 CYP3A4 (0.35) TRPA1POLBALDH1A1LMNAHPGD
SCHEMBL894677 0.92 TRPA1 (0.40) TRPA1EPHX2VCP
SCHEMBL10164500 0.89 VCP (0.39) TRPA1MEN1KMT2AALDH1A1LMNA
SCHEMBL10164609 0.88 TRPA1 (0.38) TRPA1POLBMEN1KMT2AEPHX2
SCHEMBL10164696 0.87 L3MBTL1 (0.44) TRPA1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL893449 0.87 TRPA1 (0.40) TRPA1
SCHEMBL10164671 0.85 TRPA1 (0.42) TRPA1TP53
SCHEMBL893072 0.85 TRPA1 (0.39) TRPA1SMN1; SMN2MAPT
SCHEMBL10164682 0.85 TRPA1 (0.38) TRPA1POLBBMP1

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 1/4885TPH1 472/4885POLB 4754/4885

“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.