SCHEMBL10164576

SCHEMBL10164576

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCN(Cc4ccccc4)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
FKBP1A P62942 3/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.41
CCR4 P51679 2/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL10164515 0.94 TRPA1 (0.42) L3MBTL1MMP8MMP12MMP13LMNA
SCHEMBL893951 0.91 TRPA1 (0.51) MMP8MMP12MMP13FKBP1ALMNA
SCHEMBL10164498 0.91 MMP8 (0.46) L3MBTL1MMP8MMP12MMP13LMNA
SCHEMBL10164583 0.90 TRPA1 (0.44) L3MBTL1MMP8MMP12MMP13LMNA
SCHEMBL10164507 0.89 L3MBTL1 (0.47) L3MBTL1MMP8MMP12MMP13FKBP1A
SCHEMBL10164606 0.89 LMNA (0.40) LMNAMAPK1SMN1; SMN2ALDH1A1TRPA1
SCHEMBL10164586 0.88 LMNA (0.41) LMNAMAPK1SMN1; SMN2ALDH1A1TRPA1
SCHEMBL10164594 0.87 L3MBTL1 (0.53) L3MBTL1FKBP1ATRPA1CCR4MAPT
SCHEMBL10164505 0.86 L3MBTL1 (0.46) L3MBTL1MMP8MMP12MMP13FKBP1A
SCHEMBL894094 0.86 TRPA1 (0.51) 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 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 L3MBTL1 3677/4885MMP8 719/4885MMP12 1962/4885

“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.