SCHEMBL6744878

SCHEMBL6744878

C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)[C@H](O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.54
CTSS P25774 16/20 0.54
CTSL P07711 16/20 0.54
USP30 Q70CQ3 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL6744874 1.00 CTSK (0.54) CTSKCTSSCTSLUSP30REN
SCHEMBL13784250 0.89 CTSK (0.52) CTSKCTSSCTSL
SCHEMBL13784253 0.89 CTSK (0.52) CTSKCTSSCTSL
SCHEMBL5096561 0.88 CTSK (0.44) CTSKCTSSCTSLUSP30REN
SCHEMBL5096565 0.88 CTSK (0.44) CTSKCTSSCTSLUSP30REN
SCHEMBL6843805 0.84 CTSK (0.76) CTSKCTSSCTSL
SCHEMBL5983474 0.84 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL4316461 0.84 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL4316467 0.84 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL5983481 0.84 CTSK (0.42) CTSKCTSSCTSL

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-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSS 1/4885CTSL 24/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSS 1/4885CTSL 24/4885

“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.