SCHEMBL1003437

SCHEMBL1003437

CC(C)(C)OC(=O)C(N)CC(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.38
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
SLC1A2 P43004 7/20 0.34
SLC1A1 P43005 7/20 0.34
SLC1A3 P43003 6/20 0.34
GRIK1 P39086 4/20 0.33
GRIK2 Q13002 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
ENPEP Q07075 1/20 0.32

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
SCHEMBL1066047 0.86 MEN1 (0.36) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL7199828 0.86 SLC7A5 (0.48) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL569252 0.86 NOS1 (0.39) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL27723673 0.85 MEN1 (0.35) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL29171360 0.85 NOS1 (0.38) SLC7A5MEN1GAAKMT2ANOS1
Hydrochloric Acid SCHEMBL20243055 0.84 NOS1 (0.38) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL23056462 0.83 ENPEP (0.44) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL28462651 0.83 SLC7A5 (0.36) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL8634133 0.83 CA12 (0.36) SLC7A5LTA4HMEN1GAAKMT2A
SCHEMBL27703126 0.83 MEN1 (0.34) SLC7A5MEN1GAAKMT2ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 SLC7A5 3402/4885LTA4H 135/4885MEN1 3085/4885

“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.