SCHEMBL894480

SCHEMBL894480

O=C(NCc1cc(NCc2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
PKM P14618 1/20 0.48
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
AADAT Q8N5Z0 1/20 0.39

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
SCHEMBL10164537 0.91 ALDH1A1 (0.46) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL10203339 0.91 TRPA1 (0.52) TRPA1ALDH1A1MMP8MMP12MMP13
SCHEMBL893736 0.91 TRPA1 (0.52) TRPA1ALDH1A1MMP8MMP12MMP13
SCHEMBL894024 0.90 TRPA1 (0.52) TRPA1ALDH1A1MMP8MMP12MMP13
SCHEMBL894143 0.89 TRPA1 (0.43) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL893432 0.88 TRPA1 (0.49) TRPA1LMNASMN1; SMN2ALDH1A1MMP8
SCHEMBL893871 0.88 TRPA1 (0.53) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL893626 0.88 TRPA1 (0.41) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL893417 0.87 TRPA1 (0.47) TRPA1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL894301 0.87 TRPA1 (0.56) TRPA1ALDH1A1MMP8MMP12MMP13

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 1/4885LMNA 4619/4885HTT 158/4885

“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.