SCHEMBL893558

SCHEMBL893558

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(OCCN2CCCCC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.51
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
KCNQ1 P51787 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL893810 0.99 TRPA1 (0.51) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL894089 0.94 TRPA1 (0.49) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL893927 0.90 TRPA1 (0.54) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL894120 0.90 TRPA1 (0.55) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL10201918 0.90 TRPA1 (0.45) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL893843 0.88 TRPA1 (0.56) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL894583 0.88 TRPA1 (0.57) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL894514 0.84 TRPA1 (0.56) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL894191 0.84 TRPA1 (0.58) TRPA1MMP8MMP12MMP13KCNQ1
SCHEMBL893142 0.83 TRPA1 (0.65) TRPA1MMP8MMP12MMP13

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 1/4885MMP8 719/4885MMP12 1962/4885

“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.