SCHEMBL893169

SCHEMBL893169

COc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 9/20 0.50
TRPA1 O75762 6/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL894246 0.94 KCNQ1 (0.55) KCNQ1TRPA1LMNAUSP2GAA
SCHEMBL893212 0.92 TRPA1 (0.47) KCNQ1TRPA1LMNAMEN1HTT
SCHEMBL893275 0.92 TRPA1 (0.54) KCNQ1TRPA1LMNA
SCHEMBL894049 0.91 TRPA1 (0.51) KCNQ1TRPA1LMNAHTTSMN1; SMN2
SCHEMBL894188 0.90 TRPA1 (0.47) KCNQ1TRPA1LMNAHTTSMN1; SMN2
SCHEMBL894289 0.90 TRPA1 (0.53) KCNQ1TRPA1LMNATSHRHTT
SCHEMBL894277 0.89 LMNA (0.53) KCNQ1TRPA1LMNAHCRTR1HCRTR2
SCHEMBL894046 0.89 TRPA1 (0.57) TRPA1LMNA
SCHEMBL894039 0.89 TRPA1 (0.50) KCNQ1TRPA1LMNAHTTSMN1; SMN2
SCHEMBL893812 0.89 TRPA1 (0.48) KCNQ1TRPA1LMNAHTTSMN1; SMN2

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 KCNQ1 300/4885TRPA1 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.