SCHEMBL4310039

SCHEMBL4310039

CCCN1CC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)CC[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.36
CTSL P07711 11/20 0.36
CTSS P25774 9/20 0.36
DPP4 P27487 1/20 0.36
CTSB P07858 3/20 0.35
CTSV O60911 1/20 0.35
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
XIAP P98170 1/20 0.32
CACNA1B Q00975 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4314512 0.84 CTSK (0.38) CTSKCTSLCTSSXIAP
SCHEMBL4452168 0.82 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4319024 0.81 CTSK (0.45) CTSKCTSLCTSSDPP4CTSB
SCHEMBL5099694 0.80 CTSK (0.41) CTSKCTSLCTSSDPP4CTSB
SCHEMBL6391927 0.79 CTSK (0.36) CTSKCTSLCTSSDPP4CTSB
SCHEMBL6212781 0.78 CTSK (0.33) CTSKCTSLCTSS
SCHEMBL4310035 0.77
SCHEMBL4317290 0.76 CACNA1B (0.38) CTSKDPP4CACNA1B
SCHEMBL6226321 0.76 CTSK (0.35) CTSKCTSLCTSSDPP4CTSB
SCHEMBL5098972 0.76 CTSK (0.44) CTSKCTSLCTSSDPP4CTSB

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 9 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
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885
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.