SCHEMBL17136377

SCHEMBL17136377

O=C(NCc1ccc(COc2ccccc2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
ALDH1A1 P00352 1/20 0.53
FKBP1A P62942 2/20 0.50
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
TRPA1 O75762 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PTGER4 P35408 2/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL17136513 0.93 MMP8 (0.53) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17199890 0.92 MMP8 (0.53) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17199933 0.92 MMP8 (0.53) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17136453 0.91 MMP8 (0.50) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17136457 0.91 MMP8 (0.52) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136418 0.91 MMP8 (0.54) MMP8MMP12MMP13ALDH1A1HDAC1
SCHEMBL17136412 0.91 MMP8 (0.52) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17136378 0.91 MMP8 (0.58) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17199891 0.91 MMP8 (0.50) MMP8MMP12MMP13ALDH1A1FKBP1A
SCHEMBL17136446 0.90 MMP8 (0.48) MMP8MMP12MMP13ALDH1A1FKBP1A

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.