SCHEMBL6534572

SCHEMBL6534572

CC[C@H](C)[C@H](N)C(=O)OC1NC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 9/20 0.32
DPP8 Q6V1X1 5/20 0.32
DPP9 Q86TI2 5/20 0.32
DPP7 Q9UHL4 3/20 0.31
SORT1 Q99523 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IARS1 P41252 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
SCHEMBL6534591 1.00 RGS12 (0.34) RGS12TSHRALDH1A1HTTDPP4
SCHEMBL2678789 0.85 TSHR (0.38) RGS12TSHRALDH1A1HTT
SCHEMBL11420895 0.82 TSHR (0.40) RGS12TSHRALDH1A1HTTTDP1
SCHEMBL6250456 0.82 TSHR (0.40) RGS12TSHRALDH1A1HTTTDP1
SCHEMBL854904 0.75 RGS12 (0.37) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL2974813 0.74 RGS12 (0.36) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL8891060 0.73 DPP4 (0.34) DPP4DPP8DPP9DPP7IARS1
SCHEMBL1332682 0.72 TSHR (0.42) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL10530948 0.71 LMNA (0.31)
SCHEMBL11537769 0.70 TSHR (0.47) RGS12TSHRALDH1A1HTTHSD17B10

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-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-4423175-A AND ALKALINE EARTH, ZINC, OR TIN COMPOUND AJINOMOTO COMPANY INCORPORATED (JP) 1983-12-27 US disclosed
US-4384059-A ADDITIONALLY WITH ALKALINE EARTH METAL, ZINC AND ORGANO TIN COMPOUNDS AJINOMOTO COMPANY INCORPORATED (JP) 1983-05-17 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 RGS12 3524/4885TSHR 4387/4885ALDH1A1 869/4885

“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.