SCHEMBL7513728

SCHEMBL7513728

C[C@@H](CCC(=O)NC1CC=CCOCC1O)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
KLK5 Q9Y337 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
KLK7 P49862 1/20 0.31
GAA P10253 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL7513722 1.00 CTSD (0.32) CTSDBACE1KLK5CA1CA2
SCHEMBL7526880 1.00 CTSD (0.32) CTSDBACE1KLK5CA1CA2
SCHEMBL7526876 1.00 CTSD (0.32) CTSDBACE1KLK5CA1CA2
SCHEMBL7552350 0.82 SYK (0.32) CTSDBACE1KLK5KLK7GAA
SCHEMBL7451863 0.82 SYK (0.32) CTSDBACE1KLK5KLK7GAA
SCHEMBL7558417 0.82 SYK (0.32) CTSDBACE1KLK5KLK7GAA
SCHEMBL7513733 0.80 CTSK (0.45) CTSDBACE1KLK5KLK7CTSK
SCHEMBL7447808 0.68
SCHEMBL23833195 0.68 CA1 (0.46) CA1CA2CA7GAACTSK
SCHEMBL15994357 0.68 CA1 (0.46) CA1CA2CA7GAACTSK

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-20020165222-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-07 US claimed
US-20020165222-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-07 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-20020165222-A1 Protease inhibitors CTSK, CTSZ, CTSE CTSD 6/4885BACE1 118/4885KLK5 203/4885

“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.