SCHEMBL1234865

SCHEMBL1234865

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.54
CA2 P00918 4/20 0.49
CA1 P00915 3/20 0.49
FPR2 P25090 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
ENPEP Q07075 2/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL6534673 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL1237677 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL1234867 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL3281651 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL3281647 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL6534356 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL29866751 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL9688830 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL9688834 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL18771897 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1CA2CA1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830904-B2 Producing single diastereomers of isoleucine in high stereochemical purity by converting (R)-2-methylbutyraldehyde to a diastereomeric mixture of D-isoleucine hydantoin and L-allo-isoleucine hydantoin (5S-((R)-1-methylpropyl)hydantoin) BIOCATALYTICS, INC. 2004-12-14 US claimed
US-20040048342-A1 Methods for producing diastereomers of isoleucine CODEXIS, INC. 2004-03-11 US claimed
US-8460902-B1 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein, and method of producing optically active amino acid AJINOMOTO CO., INC. (JP) 2013-06-11 US disclosed
WO-2011021717-A2 METHOD FOR PRODUCING HYDROXYLATED AMINO ACIDS AJINOMOTO CO.,INC. (JP) 2011-02-24 WO disclosed
US-7361490-B2 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein and method of producing optically active amino acid AJINOMOTO CO., INC. (JP) 2008-04-22 US disclosed
US-20060240532-A1 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein and method of producing optically active amino acid AJINOMOTO CO., INC. (JP) 2006-10-26 US disclosed
US-7098020-B2 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein, and method of producing optically active amino acid AJINOMOTO CO., INC. (JP) 2006-08-29 US disclosed
US-6830904-B2 Producing single diastereomers of isoleucine in high stereochemical purity by converting (R)-2-methylbutyraldehyde to a diastereomeric mixture of D-isoleucine hydantoin and L-allo-isoleucine hydantoin (5S-((R)-1-methylpropyl)hydantoin) BIOCATALYTICS, INC. 2004-12-14 US disclosed
US-20040048342-A1 Methods for producing diastereomers of isoleucine CODEXIS, INC. 2004-03-11 US disclosed
US-20030109013-A1 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein, and method of producing optically active amino acid AJINOMOTO CO. INC (JP) 2003-06-12 US 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-20060240532-A1 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein and method of producing optically active amino acid HDHD5, DNPH1, AHCYL1 ALDH1A1 2660/4885L3MBTL1 1390/4885CA2 655/4885
US-20030109013-A1 DNA encoding hydantoinase, DNA encoding N-carbamyl-L-amino acid hydrolase, recombinant DNA, transformed cell, method of producing protein, and method of producing optically active amino acid HDHD5, DNPH1, DDAH1 ALDH1A1 2565/4885L3MBTL1 1365/4885CA2 656/4885

“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.