SCHEMBL4318521

SCHEMBL4318521

COC(=O)C(CC(C)C)NC(=O)N1C[C@H](O)[C@@H](NC(=O)[C@@H](N)CC(C)C)CC[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 2/20 0.38
USP2 O75604 1/20 0.35
FOLH1 Q04609 1/20 0.34
PEPD P12955 1/20 0.34
CACNA1B Q00975 1/20 0.34
BIRC2 Q13490 3/20 0.33
DPP4 P27487 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
CFD P00746 1/20 0.32
ERAP2 Q6P179 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
SCHEMBL4318525 1.00 POLB (0.47) POLBSMN1; SMN2CTSKUSP2FOLH1
SCHEMBL4318518 1.00 POLB (0.47) POLBSMN1; SMN2CTSKUSP2FOLH1
SCHEMBL4327583 1.00 POLB (0.47) POLBSMN1; SMN2CTSKUSP2FOLH1
SCHEMBL4327587 1.00 POLB (0.47) POLBSMN1; SMN2CTSKUSP2FOLH1
SCHEMBL4318466 0.85 POLB (0.43) POLBSMN1; SMN2CTSK
SCHEMBL13784255 0.85 POLB (0.43) POLBSMN1; SMN2CTSK
SCHEMBL4318468 0.85 POLB (0.43) POLBSMN1; SMN2CTSK
SCHEMBL4318463 0.85 POLB (0.43) POLBSMN1; SMN2CTSK
SCHEMBL4318551 0.78 TAS1R3 (0.61) CTSK
SCHEMBL4314731 0.78 TAS1R3 (0.61) CTSK

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 3435/4885SMN1; SMN2 4497/4885CTSK 1/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ POLB 3478/4885SMN1; SMN2 4434/4885CTSK 1/4885

“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.