SCHEMBL4309653

SCHEMBL4309653

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OCc2ccccc2)C[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.62
CTSL P07711 9/20 0.50
CTSS P25774 7/20 0.50
CTSB P07858 3/20 0.48
MAPK1 P28482 1/20 0.46

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
SCHEMBL4328786 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4315832 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4315826 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4328791 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4309648 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6741708 0.88 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL6741712 0.88 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL6212611 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6242917 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4765034 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
WO-2003045909-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF AZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-05 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 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 (3 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP CTSK 47/4885CTSL 20/4885CTSS 15/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.