SCHEMBL5983052

SCHEMBL5983052

CC(C)(C)OC(=O)NC(CC1CCCC1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.57
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSS P25774 6/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 6/20 0.46
KLK5 Q9Y337 4/20 0.46
KLK7 P49862 3/20 0.46
PDE4B Q07343 1/20 0.44
HTRA1 Q92743 1/20 0.44

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
SCHEMBL5983043 1.00 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSB
SCHEMBL5099282 0.99 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSB
SCHEMBL27537673 0.99 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSB
SCHEMBL6697386 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSB
SCHEMBL6697388 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSB
SCHEMBL4686404 0.90 CTSK (0.70) CTSKCTSSCTSBCTSL
SCHEMBL4686405 0.90 CTSK (0.70) CTSKCTSSCTSBCTSL
SCHEMBL5105237 0.89 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL5105243 0.89 CTSK (0.57) CTSKITGB3ITGA2BCTSSCTSL
SCHEMBL6741712 0.86 CTSK (0.50) CTSKITGB3ITGA2BCTSSCTSB

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-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO 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-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 CTSK 5/4885ITGB3 1569/4885ITGA2B 2829/4885

“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.