SCHEMBL10164503

SCHEMBL10164503

Cc1ccc(-c2cc(CNC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(NCc3ccccc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
FKBP1A P62942 2/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.51
TRPA1 O75762 3/20 0.50
GLA P06280 1/20 0.49
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL10164541 0.93 TSHR (0.53) L3MBTL1FKBP1ATSHRATMRAB9A
SCHEMBL10164634 0.92 TSHR (0.67) L3MBTL1FKBP1ATSHRATMRAB9A
SCHEMBL893973 0.91 TRPA1 (0.54) FKBP1ATSHRATMTRPA1
SCHEMBL10203402 0.91 TRPA1 (0.54) FKBP1ATSHRATMTRPA1
SCHEMBL10164552 0.91 RAB9A (0.53) L3MBTL1FKBP1ATSHRATMRAB9A
SCHEMBL10164533 0.90 L3MBTL1 (0.56) L3MBTL1FKBP1ATSHRATMRAB9A
SCHEMBL10164691 0.88 L3MBTL1 (0.53) L3MBTL1FKBP1ATSHRATMRAB9A
SCHEMBL10164633 0.87 TRPA1 (0.49) TRPA1TP53
SCHEMBL10164502 0.86 TRPA1 (0.44) MAPTGAATRPA1TP53
SCHEMBL894597 0.85 TRPA1 (0.54) TSHRATMTRPA1

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 3677/4885FKBP1A 1198/4885TSHR 2952/4885

“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.