SCHEMBL6158854

SCHEMBL6158854

CC(C)(C)CCN1[C@@H](CC(=O)O)C(=O)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL2013019 0.69 TSHR (0.33) TSHR
SCHEMBL2012033 0.62 MAPT (0.36) TSHR
SCHEMBL2011424 0.62 TSHR (0.35) TSHR
SCHEMBL2014151 0.61 HTT (0.41)
SCHEMBL2012353 0.58 TSHR (0.37) TSHR
SCHEMBL12155298 0.56 CACNA1I (0.48)
SCHEMBL473047 0.56 GLS (0.47) TSHR
SCHEMBL1005092 0.56 GLS (0.47) TSHR
SCHEMBL13965733 0.55 OPRD1 (0.50)
SCHEMBL13965722 0.55 OPRD1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852875-B2 Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using oxazolidinone derivatives THE NUTRASWEET CO. (US) 2005-02-08 US disclosed
EP-1284991-B1 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING OXAZOLIDINONE DERIVATIVES NUTRASWEET CO (US) 2005-02-02 EP disclosed
US-20050014967-A1 Synthesis of N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine 1-methyl ester using oxazolidinone derivatives THE NUTRASWEET COMPANY (US) 2005-01-20 US disclosed
EP-1284991-A2 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING OXAZOLIDINONE DERIVATIVES The NutraSweet Company (US) 2003-02-26 EP disclosed
US-20020013490-A1 Synthesis of N- [N-(3,3-dimethylbutyl)-L-alpha-aspartyl] -L-phenylalantine 1-methyl ester using oxazolidinone derivatives THE NUTRASWEET COMPANY 2002-01-31 US disclosed
WO-2001090138-A2 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING OXAZOLIDINONE DERIVATIVES THE NUTRASWEET COMPANY (US) 2001-11-29 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 (2 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-20020013490-A1 Synthesis of N- [N-(3,3-dimethylbutyl)-L-alpha-aspartyl] -L-phenylalantine 1-methyl ester using oxazolidinone derivatives DNPEP, PEPD, ANPEP TSHR 4659/4885
US-20050014967-A1 Synthesis of N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine 1-methyl ester using oxazolidinone derivatives DNPEP, PEPD, NAALAD2 TSHR 4738/4885

“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.