SCHEMBL787984

SCHEMBL787984

COC(=O)[C@H](C)[C@@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CAPN1 P07384 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CYP2D6 P10635 1/20 0.41
AAK1 Q2M2I8 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
SCHEMBL18716487 0.88 CA1 (0.50) CA1CA2CA7CTSKCTSL
SCHEMBL10724721 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL5564464 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL741043 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL10724727 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL19618687 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL13932833 0.83 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL13932825 0.83 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL18997946 0.83 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL950335 0.83 CA1 (0.51) CA1CA2CA7CTSKCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 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 (2 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO CA1 2083/4885CA2 1890/4885CA7 2425/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO CA1 2083/4885CA2 1890/4885CA7 2425/4885

“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.