SCHEMBL893357

SCHEMBL893357

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.56
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.48
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL893918 0.92 TRPA1 (0.52) TRPA1ATMTSHRLMNA
SCHEMBL894523 0.89 TRPA1 (0.61) TRPA1ATM
SCHEMBL894046 0.88 TRPA1 (0.57) TRPA1ATMLMNA
SCHEMBL10201455 0.88 TRPA1 (0.62) TRPA1ATM
SCHEMBL893296 0.88 TRPA1 (0.62) TRPA1ATM
SCHEMBL893474 0.88 TRPA1 (0.60) TRPA1ATM
SCHEMBL897794 0.87 TRPA1 (0.59) TRPA1ATM
SCHEMBL894062 0.86 TRPA1 (0.57) TRPA1ATM
SCHEMBL893734 0.86 TRPA1 (0.60) TRPA1
SCHEMBL893358 0.86 TRPA1 (0.58) TRPA1ATM

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 3 patents. 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
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

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 1/4885ATM 2689/4885TSHR 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.