SCHEMBL5356265

SCHEMBL5356265

CC(C)(C)OC(=O)N[C@H](CI)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
SYK P43405 1/20 0.55
CTSS P25774 4/20 0.55
CTSK P43235 5/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
PPARG P37231 2/20 0.53
ACE P12821 1/20 0.51
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
CACNA1B Q00975 2/20 0.49
TACR1 P25103 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL1733075 1.00 PPARA (0.58) PPARASYKCTSSCTSKCTSL
SCHEMBL1731144 1.00 PPARA (0.58) PPARASYKCTSSCTSKCTSL
SCHEMBL12305797 0.90 PPARA (0.56) PPARASYKCTSSCTSKCTSL
SCHEMBL5639231 0.90 PPARA (0.56) PPARASYKCTSSCTSKCTSL
SCHEMBL3873538 0.90 PPARA (0.56) PPARASYKCTSSCTSKCTSL
SCHEMBL6318882 0.90 SYK (0.58) PPARASYKCTSSCTSKCTSL
SCHEMBL18256464 0.90 SYK (0.58) PPARASYKCTSSCTSKCTSL
SCHEMBL2869086 0.89 PPARA (0.55) PPARASYKCTSSCTSKCTSL
SCHEMBL2869084 0.89 PPARA (0.55) PPARASYKCTSSCTSKCTSL
SCHEMBL1561964 0.88 PPARA (0.59) PPARASYKCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100364974-C Method for synthesis of (2s,3as,7as)-perhydroindole-2- carboxylic acid and esters thereof, and use in the synthesis of perindopril SERVIER LAB (FR) 2008-01-30 CN disclosed
CN-1331883-C Method for synthesis of (2s,3as,7as)-1-((s)-alanyl)-octahydro-1h-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril SERVIER COURBEVOIE LAB (FR) 2007-08-15 CN disclosed
CN-1326871-C Process for the synthesis of perindopril and its pharmaceutically acceptable salts SERVIER LAB (FR) 2007-07-18 CN disclosed
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
CN-1753907-A Method for synthesis of (2s,3as,7as)-1-((s)-alanyl)-octahydro-1h-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril SERVIER COURBEVOIE LAB (FR) 2006-03-29 CN disclosed
CN-1753869-A Method for synthesis of (2s,3as,7as)-perhydroindole-2- carboxylic acid and esters thereof, and use in the synthesis of perindopril SERVIER LAB (FR) 2006-03-29 CN disclosed
CN-1753906-A Process for the synthesis of perindopril and its pharmaceutically acceptable salts SERVIER LAB (FR) 2006-03-29 CN disclosed
US-6465495-B1 INHIBITING DISEASE STATES ASSOCIATED WITH PROTEIN PROTEIN INTERACTION MEDIATED BY A SH2 OR SH3 DOMAIN OR A TYROSINE PHOSPHATASE SUCH AS ALLERGIES, ASTHMA, ANEMIA, AUTOIMMUNE DISEASES, CANCER, INFLAMMATORY DISEASES, OSTEOPOROSIS OSI PHARMACEUTICALS, INC. 2002-10-15 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 PPARA 1858/4885SYK 3774/4885CTSS 1662/4885

“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.