SCHEMBL4319970

SCHEMBL4319970

CC(C)CC(NC(=O)CCCCC1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
NMT2 O60551 2/20 0.43
NMT1 P30419 2/20 0.43
KDM5A P29375 2/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM4A O75164 1/20 0.43
NAAA Q02083 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL4319961 1.00 BCHE (0.49) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL4317981 0.96 BCHE (0.50) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL4317976 0.96 BCHE (0.50) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL4313021 0.90 BCHE (0.49) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL4313026 0.90 BCHE (0.49) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL8895540 0.89 ALDH1A1 (0.50) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL22758119 0.82 MEN1 (0.53) MEN1KMT2ANMT2NMT1KDM5A
SCHEMBL15623775 0.82 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2APLA2G2A
SCHEMBL4313039 0.81 ALDH1A1 (0.51) BCHEALDH1A1MEN1LMNAKMT2A
SCHEMBL4313036 0.81 ALDH1A1 (0.51) BCHEALDH1A1MEN1LMNAKMT2A

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
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN 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
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN 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 BCHE 1055/4885ALDH1A1 2646/4885MEN1 637/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ BCHE 1005/4885ALDH1A1 3139/4885MEN1 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.