SCHEMBL715026

SCHEMBL715026

Cc1csc(C2CCCN2C(=O)c2cc(C(=O)O)cc(N(C)S(C)(=O)=O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 7/20 0.38
CPT2 P23786 6/20 0.38
USP30 Q70CQ3 1/20 0.37
NAA50 Q9GZZ1 2/20 0.37
CPT1B Q92523 4/20 0.37
TRPV1 Q8NER1 2/20 0.37
BAZ2A Q9UIF9 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33

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
SCHEMBL166455 1.00 CPT1A (0.38) CPT1ACPT2USP30NAA50CPT1B
SCHEMBL166175 0.90 USP30 (0.38) CPT1ACPT2USP30CPT1BTRPV1
SCHEMBL716617 0.90 USP30 (0.38) CPT1ACPT2USP30CPT1BTRPV1
SCHEMBL2713636 0.85 TRPV1 (0.40) CPT1ACPT2NAA50CPT1BTRPV1
SCHEMBL6466401 0.85 TRPV1 (0.40) CPT1ACPT2NAA50CPT1BTRPV1
SCHEMBL166997 0.85 TRPV1 (0.43) CPT1ACPT2NAA50CPT1BTRPV1
SCHEMBL166998 0.85 TRPV1 (0.43) CPT1ACPT2NAA50CPT1BTRPV1
SCHEMBL174020 0.84 NAA50 (0.38) CPT1ACPT2USP30NAA50CPT1B
SCHEMBL174022 0.84 NAA50 (0.38) CPT1ACPT2USP30NAA50CPT1B
SCHEMBL7872430 0.83 TRPV1 (0.45) CPT1ACPT2NAA50CPT1BTRPV1

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
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
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 CPT1A 743/4885CPT2 624/4885USP30 2583/4885

“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.