SCHEMBL5350591

SCHEMBL5350591

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C2=C(CCCC2)C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.52
PREP P48147 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PPARA Q07869 2/20 0.42
SYK P43405 1/20 0.42
FKBP1A P62942 3/20 0.41
CMA1 P23946 1/20 0.40
MAPT P10636 1/20 0.40
KLK5 Q9Y337 2/20 0.40
KLK7 P49862 1/20 0.40
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL13839404 0.83 ACE (0.43) CTSLFKBP1AACE
SCHEMBL27643156 0.82 ACE (0.53) CTSLACE
SCHEMBL13895644 0.82 ACE (0.53) CTSLACE
SCHEMBL3882949 0.82 KMT2A (0.40) CTSLPREPITGB3ITGA2BCMA1
SCHEMBL9699149 0.79 PREP (0.61) CTSLPREPFKBP1ACMA1KLK5
SCHEMBL10882017 0.79 PREP (0.61) CTSLPREPFKBP1ACMA1KLK5
SCHEMBL7265704 0.79 PREP (0.61) CTSLPREPFKBP1ACMA1KLK5
SCHEMBL28545846 0.79 PREP (0.61) CTSLPREPFKBP1ACMA1KLK5
SCHEMBL10842684 0.76 ACE (0.53) CTSLPREPACE
SCHEMBL9256682 0.76 CTSL (0.54) CTSLPREPFKBP1AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157485-B2 Method for synthesizing derivatives of (2S,3AS,7AS)-1-[(S)-alanyl]-octahydro,-1H-indole-2-carboxylic acid and the use thereof for perindopril synthesis LES LABORATOIRES SERVIER (FR) 2007-01-02 US disclosed
US-20060149082-A1 Novel method for synthesising derivatives of (2s,3as,7as)-1-[(s)-alanyl]-octahydro,-1h-indole-2-carboxylic acid and the use thereof for perindopril synthesis LES LABORATOIRES SERVIER (FR) 2006-07-06 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 (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-20060149082-A1 Novel method for synthesising derivatives of (2s,3as,7as)-1-[(s)-alanyl]-octahydro,-1h-indole-2-carboxylic acid and the use thereof for perindopril synthesis AGTR1, CYP2S1, PAH CTSL 743/4885PREP 342/4885ITGB3 3990/4885

“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.