SCHEMBL715025

SCHEMBL715025

Cc1csc([C@H]2CCCN2C(=O)c2cc(NCS(C)(=O)=O)cc(C(=O)O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.38
TRPV1 Q8NER1 3/20 0.38
BAZ2A Q9UIF9 1/20 0.37
CPT2 P23786 4/20 0.37
CPT1A P50416 4/20 0.37
POLB P06746 2/20 0.36
CPT1B Q92523 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL716616 0.91 CPT2 (0.38) TRPV1BAZ2ACPT2CPT1APOLB
SCHEMBL166998 0.84 TRPV1 (0.43) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL166997 0.84 TRPV1 (0.43) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL174021 0.83 TRPV1 (0.40) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL6466401 0.82 TRPV1 (0.40) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL2713636 0.82 TRPV1 (0.40) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL6468509 0.82 TRPV1 (0.40) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL7872430 0.82 TRPV1 (0.45) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL475428 0.82 TRPV1 (0.45) NAA50TRPV1BAZ2ACPT2CPT1A
SCHEMBL6466508 0.82 TRPV1 (0.40) NAA50TRPV1BAZ2ACPT2CPT1A

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-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 NAA50 1309/4885TRPV1 2871/4885BAZ2A 708/4885

“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.