SCHEMBL4378947

SCHEMBL4378947

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nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
MAPT P10636 2/20 0.41
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GNPAT O15228 1/20 0.39
ACACB O00763 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2766000 1.00 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL795359 1.00 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL1668685 0.82 ALDH1A1 (0.50) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL6249964 0.82 SLC22A6 (0.39) ALDH1A1MAPTPTGS2SMN1; SMN2SLC22A6
SCHEMBL20230310 0.82 GNPAT (0.56) ALDH1A1MAPTPTGS2KDM4ETHRB
SCHEMBL18395913 0.81 MTNR1A (0.46) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL18394981 0.81 MTNR1A (0.46) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL18394986 0.81 MTNR1A (0.46) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL18395917 0.81 MTNR1A (0.46) ALDH1A1MTNR1AMTNR1BMAPTPTGS2
SCHEMBL10055894 0.78 ITGB3 (0.43) ALDH1A1MAPTPTGS2SLC22A6ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300017-B Racemization preparation method of chiral beta-amino acid and derivative thereof 浙江九洲药业股份有限公司 2023-06-09 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112300017-A Racemization preparation method of chiral beta-amino acid and derivative thereof 浙江九洲药业股份有限公司 2021-02-02 CN disclosed
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
US-20090299089-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOCARBOXYLIC ACID ESTERS BASF SE (DE) 2009-12-03 US disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 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-20090299089-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOCARBOXYLIC ACID ESTERS AADAC, AADAT, ACMSD ALDH1A1 459/4885MTNR1A 2912/4885MTNR1B 2489/4885
US-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 ALDH1A1 784/4885MTNR1A 929/4885MTNR1B 1335/4885

“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.