SCHEMBL893178

SCHEMBL893178

O=C(NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.64
ATM Q13315 1/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL894254 0.89 TRPA1 (0.68) TRPA1ATM
SCHEMBL891306 0.88 TRPA1 (0.64) TRPA1ATMTSHR
SCHEMBL894178 0.87 TRPA1 (0.68) TRPA1ATMHTTALDH1A1LMNA
SCHEMBL894004 0.86 TRPA1 (0.63) TRPA1ATMHTTALDH1A1LMNA
SCHEMBL893207 0.85 TRPA1 (0.60) TRPA1ATMHTTTSHRGAA
SCHEMBL893466 0.85 TRPA1 (0.85) TRPA1
SCHEMBL10201447 0.85 TRPA1 (0.62) TRPA1ATMTSHR
SCHEMBL10202097 0.85 TRPA1 (0.58) TRPA1HTTALDH1A1LMNAGLA
SCHEMBL13570566 0.84 TRPA1 (0.68) TRPA1ATMHTTALDH1A1LMNA
SCHEMBL13570565 0.84 TRPA1 (0.68) TRPA1ATMHTTALDH1A1LMNA

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 4 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 claimed
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 2689/4885HTT 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.