SCHEMBL759233

SCHEMBL759233

CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.52
ACE P12821 7/20 0.51
ACE2 Q9BYF1 6/20 0.51
CPA1 P15085 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL6904234 1.00 MME (0.52) MMEACEACE2CPA1L3MBTL1
SCHEMBL5691576 1.00 MME (0.52) MMEACEACE2CPA1L3MBTL1
SCHEMBL4311 0.90 ALDH1A1 (0.55)
SCHEMBL5053951 0.90 ALDH1A1 (0.55)
SCHEMBL7747285 0.90 MME (0.49) MMEACEACE2CPA1L3MBTL1
SCHEMBL12829570 0.90 ALDH1A1 (0.55)
SCHEMBL7705919 0.89 ALDH1A1 (0.54)
Water SCHEMBL7132204 0.89 ALDH1A1 (0.54)
SCHEMBL18740851 0.89 ALDH1A1 (0.54)
SCHEMBL7602371 0.88 ALDH1A1 (0.45) MMP2MMP1MMP3

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10241122-B2 Method of measuring artificial sweeteners in bodily waste to identify and quantify drug consumption GUARDIAN HEALTH, INC. 2019-03-26 US claimed
US-20180284144-A1 Method of Measuring Artificial Sweeteners in Bodily Waste to Identify and Quantify Drug Consumption GUARDIAN HEALTH, INC. 2018-10-04 US claimed
EP-2093208-B1 Process for the preparation of 3,3-dimethylbutanal NUTRASWEET CO (US) 2013-10-16 EP claimed
EP-2079321-B1 COOLING CONFECTIONERIES AND BEVERAGES KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-05-01 EP claimed
EP-1620458-B1 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-alpha-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE DIMETHYL ACETAL AS A PRECURSOR NUTRASWEET PROPERTY HOLDINGS INC (US) 2012-03-21 EP claimed
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP claimed
EP-1852020-B1 Sweetener composition improved in taste, its use and process for preparing it AJINOMOTO KK (JP) 2010-05-26 EP claimed
EP-1586548-B1 Process for the preparation of 3,3-dimethylbutanal NUTRASWEET CO (US) 2009-06-10 EP claimed
EP-0974272-B1 SWEETENER COMPOSITION IMPROVED IN TASTE AJINOMOTO KK (JP) 2007-08-01 EP claimed
EP-1133518-B1 A METHOD FOR THE PREPARATION OF N-NEOHEXYL-(A)-ASPARTYL-L-PHENYLALANINE METHYL ESTER FROM IMIDAZOLIDIN-4-ONE INTERMEDIATES NUTRASWEET CO (US) 2007-01-03 EP claimed
EP-1075796-B1 SWEETENER COMPOSITIONS AJINOMOTO KK (JP) 2006-08-09 EP claimed
EP-0973796-B1 METHOD FOR PREPARING AND PURIFYING AN N-ALKYLATED ASPARTAME DERIVATIVE NUTRASWEET CO (US) 2005-12-21 EP claimed
EP-1284990-B1 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER BY REDUCTIVE ALKYLATION AND CRYSTALLIZATION/ISOLATION IN AQUEOUS METHANOL NUTRASWEET CO (US) 2004-11-10 EP claimed
EP-1075797-B1 NOVEL SWEETENER COMPOSITIONS AJINOMOTO KK (JP) 2004-06-16 EP claimed
EP-1140795-B1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM NUTRASWEET CO (US) 2003-09-03 EP claimed
US-6331646-B1 Amorphous N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester THE NUTRASWEET CO. 2001-12-18 US claimed
EP-1155032-A1 N- N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER AGGLOMERATE The NutraSweet Company (US) 2001-11-21 EP claimed
WO-2000049036-A1 N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER AGGLOMERATE THE NUTRASWEET COMPANY (US) 2000-08-24 WO claimed
WO-2000032621-A1 PROCESS FOR PURIFICATION OF N- [N-(3,3-DIMETHYLBUTYL) -L-α-ASPARTYL] -L-PHENYLALANINE 1-METHYL ESTER THE NUTRASWEET COMPANY (US) 2000-06-08 WO claimed
WO-2000031118-A1 AMORPHOUS N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THE NUTRASWEET COMPANY (US) 2000-06-02 WO claimed