SCHEMBL893955

SCHEMBL893955

CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCN(c4ccccc4F)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 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
KCNQ1 P51787 1/20 0.44
POLB P06746 1/20 0.44
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL894277 0.93 LMNA (0.53) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL894046 0.93 TRPA1 (0.57) TRPA1L3MBTL1ATMLMNAPOLB
SCHEMBL894049 0.93 TRPA1 (0.51) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL893359 0.92 POLB (0.54) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL894289 0.92 TRPA1 (0.53) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL894042 0.92 TRPA1 (0.49) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL894246 0.92 KCNQ1 (0.55) TRPA1L3MBTL1ATMLMNAHTT
SCHEMBL894140 0.91 TRPA1 (0.49) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL894039 0.91 TRPA1 (0.50) TRPA1L3MBTL1ATMALDH1A1LMNA
SCHEMBL893812 0.90 TRPA1 (0.48) TRPA1L3MBTL1ATMALDH1A1LMNA

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 1/4885L3MBTL1 3677/4885ATM 2689/4885

“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.