Levacetylleucine

Levacetylleucine

SCHEMBL5532016

CC(=O)N[C@H](CC(C)C)C(=O)O.[NaH]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.96
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FOLH1 Q04609 9/20 0.55
LAP3 P28838 3/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.50
PLA2G2A P14555 2/20 0.49
PLA2G5 P39877 2/20 0.49
GRN P28799 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
Levacetylleucine SCHEMBL714003 0.98 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Acetylleucine SCHEMBL282371 0.98 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL9438432 0.98 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL282372 0.98 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL5527234 0.96 ALDH1A1 (0.96) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL18954336 0.96 ALDH1A1 (0.96) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL7923132 0.96 ALDH1A1 (0.96) ALDH1A1MEN1LMNAKMT2AMAPT
Acetylleucine SCHEMBL25408262 0.92 ALDH1A1 (0.88) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL5551895 0.90 ALDH1A1 (0.85) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL17948650 0.90 ALDH1A1 (0.85) ALDH1A1MEN1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128468-A An efficient and stereoselective process for large scale synthesis of 3-(R)-3- (2,3-dihydrobenzofuran-5-yl)-1,2,3,4- tetrahydropyrrolo{3,4-B}quinolin-9-one JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1851227-A1 AN EFFICIENT AND STEREOSELECTIVE PROCESS FOR LARGE SCALE SYNTHESIS OF 3-(R)-3- (2,3-DIHYDROBENZOFURAN-5-YL)-1,2,3,4- TETRAHYDROPYRROLO{3,4-B}QUINOLIN-9-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-07 EP disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 US disclosed
WO-2006093719-A1 AN EFFICIENT AND STEREOSELECTIVE PROCESS FOR LARGE SCALE SYNTHESIS OF 3-(R)-3- (2,3-DIHYDROBENZOFURAN-5-YL)-1,2,3,4- TETRAHYDROPYRROLO{3,4-B}QUINOLIN-9-ONE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-08 WO 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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives PDE5A, PDE3A, PDE3B ALDH1A1 1786/4885MEN1 3866/4885LMNA 3225/4885

“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.