SCHEMBL6741712

SCHEMBL6741712

C[C@@H]1CC[C@H](NC(=O)C(CC2CCCCC2)NC(=O)OC(C)(C)C)[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 4/20 0.46
CTSB P07858 3/20 0.46
CTSL P07711 5/20 0.45
HTRA1 Q92743 1/20 0.45
KLK5 Q9Y337 4/20 0.44
KLK7 P49862 3/20 0.44
REN P00797 4/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL6741708 1.00 CTSK (0.50) CTSKCTSSCTSBCTSLHTRA1
SCHEMBL4309653 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL4309648 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL4328786 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL4315826 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL4315832 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL4328791 0.88 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL27537673 0.87 CTSK (0.57) CTSKCTSSCTSBCTSLHTRA1
SCHEMBL5099282 0.87 CTSK (0.57) CTSKCTSSCTSBCTSLHTRA1
SCHEMBL5983052 0.86 CTSK (0.57) CTSKCTSSCTSBCTSLHTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 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-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSS 1/4885CTSB 8/4885

“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.