SCHEMBL10164660

SCHEMBL10164660

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(NC(C)c3ccncc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.47
TRPA1 O75762 6/20 0.47
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
KCNQ1 P51787 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
SCHEMBL10164691 0.94 L3MBTL1 (0.53) TSHRL3MBTL1MAPTGLATRPA1
SCHEMBL894149 0.93 TRPA1 (0.52) TSHRTRPA1
SCHEMBL10164553 0.92 TSHR (0.57) TSHRL3MBTL1MAPTGLATRPA1
SCHEMBL10164675 0.89 L3MBTL1 (0.51) TSHRL3MBTL1MAPTGLATRPA1
SCHEMBL10164659 0.89 TRPA1 (0.47) TRPA1
SCHEMBL10164541 0.88 TSHR (0.53) TSHRL3MBTL1MAPTGLATRPA1
SCHEMBL893968 0.88 TRPA1 (0.52) TSHRTRPA1ATM
SCHEMBL10164684 0.87 TRPA1 (0.42) TRPA1
SCHEMBL10164533 0.87 L3MBTL1 (0.56) TSHRL3MBTL1MAPTGLATRPA1
SCHEMBL893073 0.86 TSHR (0.55) TSHRTRPA1

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 TSHR 2952/4885L3MBTL1 3677/4885MAPT 1004/4885

“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.