SCHEMBL893762

SCHEMBL893762

Cc1cc(C)cc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
TRPA1 O75762 5/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL893675 0.94 ATM (0.57) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL893342 0.93 ATM (0.59) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894811 0.93 ATM (0.58) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL10203333 0.91 ATM (0.56) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894160 0.91 ATM (0.55) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL10202188 0.91 ATM (0.55) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894721 0.90 ATM (0.59) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894217 0.90 L3MBTL1 (0.54) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894174 0.90 ATM (0.55) ATML3MBTL1TRPA1LMNAMEN1
SCHEMBL894221 0.90 POLB (0.57) ATML3MBTL1TRPA1LMNAMEN1

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 4 patents. 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 claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 ATM 2689/4885L3MBTL1 3677/4885TRPA1 1/4885

“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.