SCHEMBL17136459

SCHEMBL17136459

O=C(NCc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.57
HCRTR2 O43614 1/20 0.57
TRPA1 O75762 1/20 0.50
MMP8 P22894 2/20 0.47
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
SCN9A Q15858 3/20 0.45
ALDH1A1 P00352 1/20 0.44
DPP4 P27487 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
FKBP1A P62942 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL17136351 0.94 HCRTR1 (0.57) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136552 0.94 HCRTR1 (0.55) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136546 0.94 TRPA1 (0.54) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136573 0.92 HCRTR1 (0.56) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136454 0.91 TRPA1 (0.55) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136503 0.90 HTR2C (0.52) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136431 0.90 MMP8 (0.51) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136378 0.89 MMP8 (0.58) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17136509 0.88 TRPA1 (0.59) HCRTR1HCRTR2TRPA1MMP8MMP12
SCHEMBL17199917 0.87 HCRTR1 (0.53) HCRTR1HCRTR2TRPA1MMP8MMP12

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 HCRTR1 97/4885HCRTR2 45/4885TRPA1 1/4885

“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.