SCHEMBL2106917

SCHEMBL2106917

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL17474205 0.74 POLB (0.34)
SCHEMBL20811333 0.74 MEN1 (0.32)
SCHEMBL22221412 0.74 MEN1 (0.32)
SCHEMBL20811652 0.72 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL2829913 0.70
SCHEMBL3440469 0.69 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL29230313 0.69 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL29230314 0.69 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL26406136 0.68
Hydrochloric Acid SCHEMBL29230339 0.67 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1SLC7A5

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
CN-103396344-B One-pot synthetic method for N-t-butyl-aminocarbonyl-3-methyl-L-valine SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2014-10-29 CN disclosed
CN-103396344-B One-pot synthetic method for N-t-butyl-aminocarbonyl-3-methyl-L-valine SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2014-10-29 CN disclosed
EP-2121605-B1 PROCESS FOR PREPARING (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]-CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
CN-103396344-A One-pot synthetic method for N-t-butyl-aminocarbonyl-3-methyl-L-valine SUZHOU UUGENE BIOPHARMA CO LTD 2013-11-20 CN disclosed
CN-103396344-A One-pot synthetic method for N-t-butyl-aminocarbonyl-3-methyl-L-valine SUZHOU UUGENE BIOPHARMA CO LTD 2013-11-20 CN disclosed
US-8163937-B2 Process for preparing (1R,2S,5S)-N-[(1S)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]-carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide SCHERING CORPORATION (US) 2012-04-24 US disclosed
US-20100145013-A1 PROCESS FOR PREPARING (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]-CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE SCHERING CORPORATION (US) 2010-06-10 US disclosed
EP-2121605-A1 PROCESS FOR PREPARING (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]-CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE SCHERING CORPORATION (US) 2009-11-25 EP disclosed
WO-2008079216-A1 PROCESS FOR PREPARING (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]-CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE SCHERING CORPORATION (US) 2008-07-03 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-20100145013-A1 PROCESS FOR PREPARING (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]-CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE CYP1B1, DHPS, AZI2 ALDH1A1 101/4885MAPT 4326/4885PTGS1 833/4885

“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.