SCHEMBL893584

SCHEMBL893584

Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TRPA1 O75762 14/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL894334 0.95 TRPA1 (0.47) TRPA1POLB
SCHEMBL10203377 0.95 TRPA1 (0.47) TRPA1POLB
SCHEMBL894023 0.94 TRPA1 (0.45) L3MBTL1TRPA1LMNAALDH1A1GLA
SCHEMBL893650 0.91 POLB (0.48) TRPA1LMNAHTTSMN1; SMN2POLB
SCHEMBL893674 0.91 TRPA1 (0.44) L3MBTL1TRPA1LMNAMEN1KMT2A
SCHEMBL10203387 0.91 TRPA1 (0.44) L3MBTL1TRPA1LMNAMEN1KMT2A
SCHEMBL893212 0.90 TRPA1 (0.47) L3MBTL1TRPA1LMNAALDH1A1GLA
SCHEMBL893812 0.90 TRPA1 (0.48) L3MBTL1TRPA1LMNAALDH1A1GLA
SCHEMBL894277 0.89 LMNA (0.53) L3MBTL1TRPA1LMNAALDH1A1GLA
SCHEMBL892367 0.89 TRPA1 (0.44) TRPA1LMNAHTTSMN1; SMN2POLB

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 L3MBTL1 3677/4885TRPA1 1/4885LMNA 4619/4885

“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.