SCHEMBL10164668

SCHEMBL10164668

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3cccnc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TRPA1 O75762 3/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10164696 0.93 L3MBTL1 (0.44) KDM4ETRPA1TSHRL3MBTL1ALDH1A1
SCHEMBL894130 0.93 TRPA1 (0.52) KDM4ETRPA1TSHR
SCHEMBL10164663 0.92 TRPA1 (0.45) KDM4ETRPA1TSHRL3MBTL1ALDH1A1
SCHEMBL10164647 0.89 TRPA1 (0.37) KDM4ETRPA1ALDH1A1LMNAUSP2
SCHEMBL10164677 0.88 TRPA1 (0.43) TRPA1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL10164539 0.88 KDM4E (0.50) KDM4ETRPA1TSHRL3MBTL1ALDH1A1
SCHEMBL10164555 0.88 CYP3A4 (0.35) TRPA1TSHRALDH1A1LMNANPSR1
SCHEMBL10164553 0.86 TSHR (0.57) KDM4ETRPA1TSHRL3MBTL1MAPT
SCHEMBL893776 0.85 TRPA1 (0.54) TRPA1MMP8MMP12MMP13
SCHEMBL894180 0.85 TRPA1 (0.54) TRPA1MMP8MMP12MMP13

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 KDM4E 4514/4885TRPA1 1/4885TSHR 2952/4885

“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.