SCHEMBL4356346

SCHEMBL4356346

CC(C)CNC[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
LTA4H P09960 2/20 0.50
MAOB P27338 1/20 0.48
PPARG P37231 2/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LAP3 P28838 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
REN P00797 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4345257 1.00 ENPP2 (0.51) ENPP2LTA4HMAOBPPARGMME
SCHEMBL12783530 0.92 ACACB (0.50) ENPP2LTA4HMAOBPPARGMME
SCHEMBL15195992 0.90 ENPP2 (0.55) ENPP2LTA4HMAOBPPARGMME
SCHEMBL3718964 0.89 LTA4H (0.48) ENPP2LTA4HMAOBPPARGMME
SCHEMBL2188440 0.88 BACE1 (0.54) BCHE
SCHEMBL2843604 0.88 BACE1 (0.54) BCHE
SCHEMBL3324386 0.88 BACE1 (0.54) BCHE
SCHEMBL2843607 0.88 BACE1 (0.54) BCHE
SCHEMBL5945448 0.88 REN (0.54) ENPP2REN
SCHEMBL13630987 0.88 REN (0.54) ENPP2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 US 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ENPP2 1878/4885LTA4H 2193/4885MAOB 4144/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ENPP2 1878/4885LTA4H 2193/4885MAOB 4144/4885

“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.