SCHEMBL17136453

SCHEMBL17136453

O=C(NCc1ccc(COc2cccc(Cl)c2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TRPA1 O75762 1/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
FKBP1A P62942 2/20 0.43
LMNA P02545 1/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 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
SCHEMBL17199929 0.93 MMP8 (0.49) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199924 0.93 MMP8 (0.49) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199916 0.92 MEN1 (0.51) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136446 0.92 MMP8 (0.48) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136455 0.92 MMP8 (0.48) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136377 0.91 MMP8 (0.56) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199891 0.91 MMP8 (0.50) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136431 0.91 MMP8 (0.51) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136513 0.90 MMP8 (0.53) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136573 0.90 HCRTR1 (0.56) MMP8MMP12MMP13ALDH1A1TRPA1

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 MMP8 1141/4885MMP12 2543/4885MMP13 2861/4885

“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.