SCHEMBL893626

SCHEMBL893626

O=C(NCc1cc(NCc2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.41
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 2/20 0.37
VCP P55072 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SORT1 Q99523 1/20 0.35
SCD O00767 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL10164560 0.92 ALDH1A1 (0.42) TRPA1LMNAKMT2AHTTKDM4E
SCHEMBL10202205 0.91 VCP (0.44) TRPA1VCPPPARG
SCHEMBL893858 0.91 VCP (0.44) TRPA1VCPPPARG
SCHEMBL894607 0.90 TRPA1 (0.40) TRPA1VCPPTGS2SMN1; SMN2
SCHEMBL893811 0.89 TRPA1 (0.39) TRPA1LMNAVCPHTTKDM4E
SCHEMBL894480 0.88 TRPA1 (0.49) TRPA1LMNAPKMHTTALDH1A1
SCHEMBL894028 0.87 TRPA1 (0.42) TRPA1PPARG
SCHEMBL894255 0.87 TRPA1 (0.39) TRPA1RORC
SCHEMBL894108 0.87 TRPA1 (0.47) TRPA1
SCHEMBL894143 0.86 TRPA1 (0.43) TRPA1LMNAKMT2APKMHTT

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 4619/4885KMT2A 3371/4885

“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.