SCHEMBL894277

SCHEMBL894277

CC(C)(C)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 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TRPA1 O75762 10/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
KCNQ1 P51787 1/20 0.45
HSD11B1 P28845 1/20 0.44
BRD4 O60885 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL894046 0.94 TRPA1 (0.57) LMNATRPA1L3MBTL1ATMPOLB
SCHEMBL894049 0.94 TRPA1 (0.51) LMNAALDH1A1GLAPKMHTT
SCHEMBL893955 0.93 TRPA1 (0.50) LMNAALDH1A1GLAPKMHTT
SCHEMBL893359 0.93 POLB (0.54) LMNAALDH1A1GLAPKMHTT
SCHEMBL894289 0.93 TRPA1 (0.53) LMNAALDH1A1GLAPKMHTT
SCHEMBL894246 0.93 KCNQ1 (0.55) LMNAHTTSMN1; SMN2TRPA1L3MBTL1
SCHEMBL894042 0.93 TRPA1 (0.49) LMNAALDH1A1GLAPKMHTT
SCHEMBL894140 0.92 TRPA1 (0.49) LMNAALDH1A1GLAPKMHTT
SCHEMBL894039 0.92 TRPA1 (0.50) LMNAALDH1A1GLAPKMHTT
SCHEMBL893650 0.92 POLB (0.48) LMNAHTTSMN1; SMN2TRPA1ATM

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 LMNA 4619/4885ALDH1A1 1469/4885GLA 4466/4885

“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.