SCHEMBL894174

SCHEMBL894174

Cc1cccc(C)c1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 4/20 0.50
TRPA1 O75762 3/20 0.49
THRB P10828 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL10202188 0.94 ATM (0.55) ATML3MBTL1LMNATRPA1THRB
SCHEMBL893340 0.92 ATM (0.53) ATML3MBTL1LMNATRPA1THRB
SCHEMBL894721 0.90 ATM (0.59) ATML3MBTL1LMNATRPA1THRB
SCHEMBL893342 0.90 ATM (0.59) ATML3MBTL1LMNATRPA1THRB
SCHEMBL894217 0.90 L3MBTL1 (0.54) ATML3MBTL1LMNATRPA1THRB
SCHEMBL893762 0.90 ATM (0.55) ATML3MBTL1LMNATRPA1THRB
SCHEMBL894811 0.90 ATM (0.58) ATML3MBTL1LMNATRPA1THRB
SCHEMBL894160 0.89 ATM (0.55) ATML3MBTL1LMNATRPA1THRB
SCHEMBL894288 0.89 ATM (0.57) ATML3MBTL1LMNATRPA1THRB
SCHEMBL893675 0.89 ATM (0.57) ATML3MBTL1LMNATRPA1THRB

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 3677/4885LMNA 4619/4885

“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.