SCHEMBL10164555

SCHEMBL10164555

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3cccnc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
PFKFB3 Q16875 1/20 0.34
TRPA1 O75762 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 7/20 0.33
ADORA2B P29275 6/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.32
TP53 P04637 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
SCHEMBL10164672 0.93 TRPA1 (0.34) ALDH1A1TRPA1HPGDSMN1; SMN2LMNA
SCHEMBL893072 0.93 TRPA1 (0.39) CYP3A4CYP2D6CYP2C9TRPA1SMN1; SMN2
SCHEMBL10164669 0.92 TRPA1 (0.34) ALDH1A1TRPA1LMNARECQLTP53
SCHEMBL10164546 0.88 CYP2C9 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL10164668 0.88 KDM4E (0.43) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL10164554 0.86 TSHR (0.43) CYP3A4CYP2D6CYP2C9CYP2C19TRPA1
SCHEMBL10164647 0.86 TRPA1 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19KCNA5
SCHEMBL893449 0.85 TRPA1 (0.40) TRPA1
SCHEMBL894677 0.85 TRPA1 (0.40) TRPA1
SCHEMBL10164609 0.85 TRPA1 (0.38) ALDH1A1TRPA1TSHRLMNATP53

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 CYP3A4 1670/4885CYP2D6 2026/4885CYP2C9 902/4885

“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.