SCHEMBL10201450

SCHEMBL10201450

O=C(NCc1cc(-c2ccc3c(c2)OCO3)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TRPA1 O75762 6/20 0.50
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNQ1 P51787 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL893071 0.94 TRPA1 (0.52) MAPTTRPA1LMNAATMTSHR
SCHEMBL10201936 0.90 TRPA1 (0.53) MAPTTRPA1LMNAATMTSHR
SCHEMBL10201961 0.89 MAPT (0.54) MAPTTRPA1LMNAATMTSHR
SCHEMBL10202172 0.89 ATM (0.54) MAPTTRPA1LMNAATMTSHR
SCHEMBL10202104 0.87 TRPA1 (0.51) MAPTTRPA1LMNAATMTSHR
SCHEMBL894276 0.85 MAPT (0.51) MAPTTRPA1LMNAATML3MBTL1
SCHEMBL10201940 0.85 TRPA1 (0.49) MAPTTRPA1LMNAATMTSHR
SCHEMBL10203365 0.83 LMNA (0.57) MAPTTRPA1LMNAATMTSHR
SCHEMBL10203366 0.82 LMNA (0.55) MAPTTRPA1LMNAATMTSHR
SCHEMBL893865 0.82 TRPA1 (0.56) TRPA1ATMTSHR

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 2 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 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 MAPT 1004/4885TRPA1 1/4885LMNA 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.