SCHEMBL893899

SCHEMBL893899

COc1ccc(F)cc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
RAB9A P51151 1/20 0.50
TRPA1 O75762 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 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
SCHEMBL893643 1.00 ATM (0.53) ATMRAB9ATRPA1POLBLMNA
SCHEMBL893340 0.92 ATM (0.53) ATMRAB9ATRPA1POLBLMNA
SCHEMBL894288 0.90 ATM (0.57) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL894721 0.90 ATM (0.59) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL10202188 0.89 ATM (0.55) ATMRAB9ATRPA1POLBLMNA
SCHEMBL893342 0.89 ATM (0.59) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL894811 0.88 ATM (0.58) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL894160 0.87 ATM (0.55) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL893317 0.87 ATM (0.55) ATMTRPA1POLBLMNAL3MBTL1
SCHEMBL10203334 0.87 ATM (0.55) ATMTRPA1POLBLMNAL3MBTL1

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 2689/4885RAB9A 1608/4885TRPA1 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.