SCHEMBL10164495

SCHEMBL10164495

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCCCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.53
TRPA1 O75762 5/20 0.52
ATM Q13315 1/20 0.51
GLA P06280 1/20 0.51
RAB9A P51151 1/20 0.51
KCNQ1 P51787 3/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL10164494 0.99 L3MBTL1 (0.55) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10201973 0.91 TRPA1 (0.56) TSHRTRPA1ATMKCNQ1
SCHEMBL10164587 0.90 L3MBTL1 (0.49) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10164510 0.90 L3MBTL1 (0.57) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10203410 0.90 TRPA1 (0.57) TSHRTRPA1ATMKCNQ1
SCHEMBL10164594 0.90 L3MBTL1 (0.53) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10164531 0.89 L3MBTL1 (0.53) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10164533 0.87 L3MBTL1 (0.56) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10164517 0.87 TSHR (0.61) L3MBTL1TSHRMAPTTRPA1ATM
SCHEMBL10164523 0.86 L3MBTL1 (0.55) L3MBTL1TSHRMAPTTRPA1ATM

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 3677/4885TSHR 2952/4885MAPT 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.