SCHEMBL17136406

SCHEMBL17136406

O=C(NCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.51
MAPK14 Q16539 2/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
GUSB P08236 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL17136454 0.96 TRPA1 (0.55) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17136512 0.92 TRPA1 (0.54) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17136565 0.91 TRPA1 (0.54) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17136509 0.88 TRPA1 (0.59) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17199918 0.88 TRPA1 (0.64) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17136492 0.88 TRPA1 (0.53) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL17136432 0.87 TRPA1 (0.51) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL17136459 0.87 HCRTR1 (0.57) TRPA1MAPK14HCRTR1HCRTR2MMP8
SCHEMBL17136477 0.86 TRPA1 (0.51) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL17136515 0.86 MAPK14 (0.41) TRPA1MAPK14MMP8MMP13ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937335-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME Ajinomoto Co., Inc. (JP) 2015-10-28 EP disclosed
US-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME AJINOMOTO CO., INC. (JP) 2015-10-08 US 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-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 TRPA1 1/4885MAPK14 2463/4885HCRTR1 97/4885

“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.