SCHEMBL4316474

SCHEMBL4316474

C[C@@H]1CC[C@H](N)C(=O)CN1C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
LIPE Q05469 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4316839 0.73 MEN1 (0.38) L3MBTL1LIPEMEN1TP53KMT2A
SCHEMBL4316707 0.73 CTSS (0.40) LIPE
SCHEMBL16480463 0.72 MEN1 (0.50) L3MBTL1LIPEMEN1TP53KMT2A
SCHEMBL16254877 0.71 MEN1 (0.48) L3MBTL1LIPEMEN1TP53KMT2A
SCHEMBL4316698 0.71 CTSL (0.33) LIPESMN1; SMN2
SCHEMBL31233540 0.65 KMT2A (0.48) MEN1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL2437206 0.65 MEN1 (0.57) MEN1TP53KMT2AMAPTAKR1C3
SCHEMBL8263015 0.65 KMT2A (0.57) MEN1TP53KMT2AMAPTAKR1C3
SCHEMBL5441953 0.63 ALDH1A1 (0.43) LIPEMEN1TP53KMT2AMAPT
SCHEMBL13182622 0.63 MEN1 (0.59) MEN1TP53KMT2AMAPTAKR1C3

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 12 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
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 L3MBTL1 1404/4885LIPE 1785/4885MEN1 637/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ L3MBTL1 2517/4885LIPE 1670/4885MEN1 1220/4885

“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.