SCHEMBL6534356

SCHEMBL6534356

CC[C@H](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
SCHEMBL1234865 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
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-6822116-B2 CONVERTING L-ISOLEUCINE TO CORRESPONDING HYDANTOIN; CONTACTING HYDANTOIN WITH D-HYDANTOINASE TO STEREOSELECTIVELY HYDROLYZE ANY D-ALLO-ISOLEUCINE HYDANTOIN IN MIXTURE TO CORRESPONDING N-CARBAMOYL-D-ALLO-ISOLEUCINE AND DECARBAMOYLATING BIOCATALYTICS, INC. 2004-11-23 US claimed
US-20040048342-A1 Methods for producing diastereomers of isoleucine CODEXIS, INC. 2004-03-11 US claimed
US-20030219879-A1 Method for producing D-allo -isoleucine CODEXIS, INC. 2003-11-27 US claimed
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-6822116-B2 CONVERTING L-ISOLEUCINE TO CORRESPONDING HYDANTOIN; CONTACTING HYDANTOIN WITH D-HYDANTOINASE TO STEREOSELECTIVELY HYDROLYZE ANY D-ALLO-ISOLEUCINE HYDANTOIN IN MIXTURE TO CORRESPONDING N-CARBAMOYL-D-ALLO-ISOLEUCINE AND DECARBAMOYLATING BIOCATALYTICS, INC. 2004-11-23 US disclosed
US-6822116-B2 CONVERTING L-ISOLEUCINE TO CORRESPONDING HYDANTOIN; CONTACTING HYDANTOIN WITH D-HYDANTOINASE TO STEREOSELECTIVELY HYDROLYZE ANY D-ALLO-ISOLEUCINE HYDANTOIN IN MIXTURE TO CORRESPONDING N-CARBAMOYL-D-ALLO-ISOLEUCINE AND DECARBAMOYLATING BIOCATALYTICS, INC. 2004-11-23 US disclosed
US-20040048342-A1 Methods for producing diastereomers of isoleucine CODEXIS, INC. 2004-03-11 US disclosed
US-20030219879-A1 Method for producing D-allo -isoleucine CODEXIS, INC. 2003-11-27 US disclosed
US-20030219879-A1 Method for producing D-allo -isoleucine CODEXIS, INC. 2003-11-27 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 (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-20030219879-A1 Method for producing D-allo -isoleucine DAO, DNPEP, AADAT ALDH1A1 869/4885L3MBTL1 1344/4885CA2 1777/4885

“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.