Levacetylleucine

Levacetylleucine

SCHEMBL703860

CC(=O)N[C@@H](CC(C)C)C(=O)O.[2H]C([2H])([2H])C([2H])([2H])Oc1cc([C@H](N)CS(C)(=O)=O)ccc1OC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
PDE4B Q07343 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
LTA4H P09960 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
Levacetylleucine SCHEMBL704275 0.96 FOLH1 (0.38) FOLH1ATMALDH1A1LMNAPDE4B
Levacetylleucine SCHEMBL302605 0.89 LMNA (0.45) FOLH1ATMALDH1A1LMNAPDE4B
Levacetylleucine SCHEMBL21229236 0.89 LMNA (0.45) FOLH1ATMALDH1A1LMNAPDE4B
Acetylleucine SCHEMBL20474775 0.89 LMNA (0.45) FOLH1ATMALDH1A1LMNAPDE4B
Levacetylleucine SCHEMBL756572 0.89 LMNA (0.45) FOLH1ATMALDH1A1LMNAPDE4B
Levacetylleucine SCHEMBL7084218 0.89 LMNA (0.45) FOLH1ATMALDH1A1LMNAPDE4B
Levacetylleucine SCHEMBL702915 0.87 PDE4B (0.43) FOLH1ATMALDH1A1LMNAPDE4B
SCHEMBL703779 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL10029181 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL701629 0.78 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACHE

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
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-9296689-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
US-8883843-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8404737-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2012-10-04 US disclosed
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 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 (5 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-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D FOLH1 2530/4885ATM 2398/4885ALDH1A1 4/4885
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D FOLH1 2530/4885ATM 2398/4885ALDH1A1 4/4885
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D FOLH1 2530/4885ATM 2398/4885ALDH1A1 4/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D FOLH1 2530/4885ATM 2398/4885ALDH1A1 4/4885
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D FOLH1 2530/4885ATM 2398/4885ALDH1A1 4/4885

“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.