Levacetylleucine

Levacetylleucine

SCHEMBL702915

CC(=O)N[C@@H](CC(C)C)C(=O)O.[2H]C([2H])([2H])Oc1ccc([C@H](N)CS(C)(=O)=O)cc1OCC

nearest known ligand 0.43

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.43
PDE4C Q08493 12/20 0.43
PDE4A P27815 9/20 0.43
PDE4D Q08499 9/20 0.43
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.39
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
CA2 P00918 1/20 0.35

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
Acetylleucine SCHEMBL20474775 0.94 LMNA (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL21229236 0.94 LMNA (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL756572 0.94 LMNA (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL302605 0.94 LMNA (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL7084218 0.94 LMNA (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL704275 0.91 FOLH1 (0.38) PDE4BPDE4CPDE4APDE4DHTR2B
Levacetylleucine SCHEMBL703860 0.87 FOLH1 (0.42) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10029180 0.83 PDE4B (0.50) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL706429 0.83 PDE4B (0.50) PDE4BPDE4CPDE4APDE4DHTR2B
Leucine SCHEMBL18074074 0.81 PDE4B (0.48) PDE4BPDE4CPDE4APDE4DHTR2B

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 7 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-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 (4 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-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4C 108/4885PDE4A 42/4885
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4C 108/4885PDE4A 42/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4C 108/4885PDE4A 42/4885
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4C 108/4885PDE4A 42/4885

“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.