SCHEMBL5356277

SCHEMBL5356277

CC(C)(C)OC(=O)N[C@](CI)(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CTSS P25774 6/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 3/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
ATM Q13315 1/20 0.42
ACE P12821 1/20 0.42
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL2711160 0.91 CA12 (0.50) AKT1CA12CA1CA7CA14
SCHEMBL1486201 0.87 CA12 (0.47) AKT1CA12CA1CA7CA14
SCHEMBL7521815 0.86 CA12 (0.46) AKT1CA12CA1CA7CA14
SCHEMBL11586767 0.86 CA12 (0.46) AKT1CA12CA1CA7CA14
SCHEMBL6473389 0.85 CA12 (0.45) AKT1CA12CA1CA7CA14
SCHEMBL2711802 0.85 AKT1 (0.46) AKT1CA12CA1CA7CA14
SCHEMBL27485421 0.85 CA12 (0.45) AKT1CA12CA1CA7CA14
SCHEMBL3511915 0.84 CA12 (0.44) AKT1CA12CA1CA7CA14
SCHEMBL18248044 0.84 CA12 (0.44) AKT1CA12CA1CA7CA14
SCHEMBL6062430 0.84 CA12 (0.44) AKT1CA12CA1CA7CA14

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 AKT1 3134/4885CA12 4482/4885CA1 3289/4885

“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.