SCHEMBL10164529

SCHEMBL10164529

CNc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc(-c2ccc(C)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TRPA1 O75762 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNQ1 P51787 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 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
SCHEMBL894301 0.91 TRPA1 (0.56) MMP8MMP12MMP13TRPA1ALDH1A1
SCHEMBL10164505 0.90 L3MBTL1 (0.46) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164567 0.90 TRPA1 (0.44) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164524 0.88 MMP8 (0.46) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164498 0.88 MMP8 (0.46) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164696 0.88 L3MBTL1 (0.44) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164539 0.87 KDM4E (0.50) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164663 0.87 TRPA1 (0.45) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164537 0.87 ALDH1A1 (0.46) MMP8MMP12MMP13L3MBTL1TRPA1
SCHEMBL10164527 0.87 MMP8 (0.45) MMP8MMP12MMP13L3MBTL1TRPA1

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 MMP8 719/4885MMP12 1962/4885MMP13 2595/4885

“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.