SCHEMBL17136393

SCHEMBL17136393

COC(=O)c1ccc(OCc2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 1/20 0.45
MAPT P10636 1/20 0.45
FKBP1A P62942 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL17136457 0.93 MMP8 (0.52) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17199890 0.92 MMP8 (0.53) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136412 0.91 MMP8 (0.52) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136513 0.91 MMP8 (0.53) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136567 0.91 MMP8 (0.46) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136418 0.89 MMP8 (0.54) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136377 0.89 MMP8 (0.56) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136367 0.89 TRPA1 (0.50) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136379 0.89 TRPA1 (0.52) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL17136490 0.88 ADAM17 (0.50) MMP8MMP12MMP13TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.