SCHEMBL3840221

SCHEMBL3840221

CCOC(=O)CN[C@@H](C)CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPID Q08752 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19236955 1.00 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13774331 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7721965 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL27816766 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10124278 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7430700 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2039271 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5681183 0.82 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL452234 0.81 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29496889 0.81 L3MBTL1 (0.49) GAAMGAMSIMGAM2ALDH1A1

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
EP-1362845-B1 New process for the synthesis of N-((S)-1-carboxybutyl)-(S)-alanine esters and their use in the synthesis of perindopril SERVIER LAB (FR) 2009-10-14 EP disclosed
US-7361757-B2 Method for synthesizing esters of N-[(S)-1-carboxybutyl]-(S)-alanine and use thereof for synthesizing perindopril LES LABORATOIRES SERVIER (FR) 2008-04-22 US disclosed
US-20060252958-A1 Novel method for synthesizing esters of n-[(s)-1-carboxybutyl]-(s)-alanine and use thereof for synthesizing perindopril LES LABORATOIRES SERVIER (FR) 2006-11-09 US disclosed
WO-2005023755-A1 NOVEL METHOD FOR SYNTHESIZING ESTERS OF N-[(S)-1-CARBOXYBUTYL]-(S)-ALANINE AND USE THEREOF FOR SYNTHESIZING PERINDOPRIL LES LABORATOIRES SERVIER (FR) 2005-03-17 WO disclosed
EP-1362845-A2 New process for the synthesis of N-((S)-1-carboxybutyl)-(S)-alanine esters and their use in the synthesis of perindopril Les Laboratoires Servier (FR) 2003-11-19 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 (1 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-20060252958-A1 Novel method for synthesizing esters of n-[(s)-1-carboxybutyl]-(s)-alanine and use thereof for synthesizing perindopril ACE, AGT, AGTR1 GAA 1011/4885MGAM 1209/4885SI 541/4885

“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.