SCHEMBL1144299

SCHEMBL1144299

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
TP53 P04637 1/20 0.36
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL27726088 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ETHRBRECQLMAPT
SCHEMBL14157901 0.80 TRPV1 (0.46) ALDH1A1KDM4ETHRBRECQLMAPT
SCHEMBL21074165 0.79 TRPV1 (0.39) ALDH1A1KDM4ETHRBRECQLMAPT
SCHEMBL228531 0.78
SCHEMBL10055197 0.77 ALDH1A1 (0.35) ALDH1A1THRBRECQLNFKB1THPO
SCHEMBL19428144 0.77 ALDH1A1 (0.35) ALDH1A1THRBRECQLNFKB1THPO
SCHEMBL6429110 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETHRBRECQLMAPT
SCHEMBL8504066 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETHRBRECQLMAPT
SCHEMBL10057214 0.77 ALDH1A1 (0.35) ALDH1A1THRBRECQLNFKB1THPO
SCHEMBL31370395 0.75 SLC7A5 (0.50) ALDH1A1KDM4ETHRBRECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 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
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 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-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 ALDH1A1 784/4885KDM4E 4722/4885THRB 1371/4885

“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.