SCHEMBL4313036

SCHEMBL4313036

CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MAPT P10636 1/20 0.45
EPHX1 P07099 1/20 0.45
HPGD P15428 1/20 0.45
FOLH1 Q04609 2/20 0.43
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
BCHE P06276 1/20 0.42
MME P08473 1/20 0.42
EPHX2 P34913 1/20 0.42
LAP3 P28838 2/20 0.41

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
SCHEMBL4313039 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL8895660 0.98 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL4145751 0.86 PSEN1 (0.44) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4313021 0.85 BCHE (0.49) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL4313026 0.85 BCHE (0.49) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL4134832 0.84 CNR2 (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8895540 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4317981 0.82 BCHE (0.50) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL4317976 0.82 BCHE (0.50) ALDH1A1KMT2AMEN1LMNAPSEN1
SCHEMBL6138089 0.82 HPGD (0.49) KMT2AEPHX1HPGDGRNSORT1

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 15 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
EP-0584374-B1 PEPTIDE WHICH INHIBITS PHOSPHOLIPASE C KYOWA HAKKO KOGYO KK (JP) 1997-09-24 EP 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 ALDH1A1 2646/4885KMT2A 2453/4885MEN1 637/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ ALDH1A1 3139/4885KMT2A 2374/4885MEN1 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.