SCHEMBL17136379

SCHEMBL17136379

O=C(NCc1ccc(COc2ccc(OC(F)(F)F)cc2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
ALDH1A1 P00352 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
SCN9A Q15858 1/20 0.44
HTR2C P28335 1/20 0.44
FKBP1A P62942 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 1/20 0.42
PKM P14618 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
SCHEMBL17136546 0.93 TRPA1 (0.54) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17199917 0.92 HCRTR1 (0.53) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17136573 0.92 HCRTR1 (0.56) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17136474 0.92 TRPA1 (0.61) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17199898 0.92 TRPA1 (0.61) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17136367 0.92 TRPA1 (0.50) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL17136418 0.91 MMP8 (0.54) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL17136513 0.91 MMP8 (0.53) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL17136457 0.89 MMP8 (0.52) TRPA1MMP8MMP12MMP13HCRTR1
SCHEMBL17136412 0.89 MMP8 (0.52) TRPA1MMP8MMP12MMP13ALDH1A1

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 3 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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 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 1/4885MMP8 1141/4885MMP12 2543/4885

“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.