SCHEMBL7513733

SCHEMBL7513733

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.45
CTSS P25774 9/20 0.45
KLK5 Q9Y337 4/20 0.40
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KLK7 P49862 3/20 0.38
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
CTSL P07711 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 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
SCHEMBL7526880 0.80 CTSD (0.32) CTSKKLK5KLK7CTSDBACE1
SCHEMBL7526876 0.80 CTSD (0.32) CTSKKLK5KLK7CTSDBACE1
SCHEMBL7513728 0.80 CTSD (0.32) CTSKKLK5KLK7CTSDBACE1
SCHEMBL7513722 0.80 CTSD (0.32) CTSKKLK5KLK7CTSDBACE1
SCHEMBL7558417 0.80 SYK (0.32) CTSKCTSSKLK5KLK7CTSD
SCHEMBL7552350 0.80 SYK (0.32) CTSKCTSSKLK5KLK7CTSD
SCHEMBL7451867 0.80 SYK (0.32) CTSKCTSSKLK5KLK7CTSD
SCHEMBL7451863 0.80 SYK (0.32) CTSKCTSSKLK5KLK7CTSD
SCHEMBL24815329 0.68 CTSK (0.67) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8140278 0.68 CTSK (0.67) CTSKCTSSHDAC4HDAC1HDAC6

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 CTSK 1/4885CTSS 8/4885KLK5 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.