SCHEMBL3790653

SCHEMBL3790653

CC(C)(C)[C@H](NC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC7A5 Q01650 1/20 0.33
LMNA P02545 1/20 0.32
PYGL P06737 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.31
DPP4 P27487 1/20 0.31
TGFBR1 P36897 1/20 0.30
CNR2 P34972 1/20 0.30
ECE1 P42892 1/20 0.30

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
SCHEMBL27924591 1.00 CA2 (0.45) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL7526611 1.00 CA2 (0.45) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3283921 0.82 ALDH1A1 (0.46) CA2ALDH1A1MAPTPTGS1LMNA
SCHEMBL27626672 0.82 ALDH1A1 (0.46) CA2ALDH1A1MAPTPTGS1LMNA
SCHEMBL8357912 0.80 CA2 (0.43) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL883447 0.80 CA2 (0.43) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL1236539 0.78 CA2 (0.42) CA2ALDH1A1MAPTPTGS1PYGL
SCHEMBL8415890 0.78 CA2 (0.42) CA2ALDH1A1MAPTPTGS1PYGL
SCHEMBL2515799 0.78 CA2 (0.42) CA2ALDH1A1MAPTPTGS1PYGL
SCHEMBL20697781 0.76 CA2 (0.41) CA2ALDH1A1MAPTPTGS1PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8183408-B2 Process for production of N-carbamoyl-tert-leucine KANEKA CORPORATION (JP) 2012-05-22 US claimed
US-20100256416-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE KANEKA CORPORATION 2010-10-07 US claimed
EP-2221294-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE Kaneka Corporation (JP) 2010-08-25 EP claimed
JP-7222593-A None JP 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-8183408-B2 Process for production of N-carbamoyl-tert-leucine KANEKA CORPORATION (JP) 2012-05-22 US disclosed
US-8183408-B2 Process for production of N-carbamoyl-tert-leucine KANEKA CORPORATION (JP) 2012-05-22 US disclosed
US-8183408-B2 Process for production of N-carbamoyl-tert-leucine KANEKA CORPORATION (JP) 2012-05-22 US disclosed
US-20100256416-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE KANEKA CORPORATION 2010-10-07 US disclosed
US-20100256416-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE KANEKA CORPORATION 2010-10-07 US disclosed
EP-2221294-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE Kaneka Corporation (JP) 2010-08-25 EP disclosed
US-6800464-B2 FOR PREPARATION OF D-AMINO ACIDS STARTING FROM 5'-SUBSTITUTED HYDANTOINS DEGUSSA AG (DE) 2004-10-05 US disclosed
EP-1373522-A2 D-CARBAMOYLASE FROM ARTHROBACTER CRYSTALLOPOIETES DSM 20117 Degussa AG (DE) 2004-01-02 EP disclosed
US-20030143244-A1 Arthrobacter D-carbamoylase and methods of preparing enantiomerically enriched D-amino acids DEGUSSA AG (DE) 2003-07-31 US disclosed
WO-2002077212-A2 D-CARBAMOYLASE FROM ARTHROBACTER CRYSTALLOPOIETES DSM 20117 DEGUSSA AG (DE) 2002-10-03 WO disclosed
JP-H07222593-A PRODUCTION OF N-CARBAMYL-L-TERT-LEUCINE AJINOMOTO CO INC 1995-08-22 JP disclosed
EP-0469739-B1 Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORP (JP) 1994-06-15 EP disclosed
US-5149426-A Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORPORATION (JP) 1992-09-22 US disclosed
EP-0469739-A1 Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORPORATION (JP) 1992-02-05 EP 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-20030143244-A1 Arthrobacter D-carbamoylase and methods of preparing enantiomerically enriched D-amino acids HDHD5, DDC, DAO CA2 113/4885ALDH1A1 2078/4885MAPT 4057/4885
US-20100256416-A1 PROCESS FOR PRODUCTION OF N-CARBAMOYL-TERT-LEUCINE TERT, BCAT1, BCAT2 CA2 1234/4885ALDH1A1 3021/4885MAPT 771/4885

“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.