SCHEMBL4318463

SCHEMBL4318463

COC(=O)[C@H](CC(C)C)NC(=O)N1CC(O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CAPN1 P07384 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL4318468 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL13784255 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL4318466 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL4327587 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318521 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318525 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318518 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4327583 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4450037 0.81 CTSK (0.41) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4446335 0.81 CTSK (0.41) CTSKCTSLCTSBCTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP 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 (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 POLB 3435/4885CTSK 1/4885CTSL 2/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ POLB 3478/4885CTSK 1/4885CTSL 11/4885

“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.