SCHEMBL3109355

SCHEMBL3109355

CC(N)(C(=O)O)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
CYP2C19 P33261 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 4/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL3109358 1.00 AOC3 (0.52) AOC3CYP2C19CYP2D6CYP1A2LMNA
Trifluoroacetic Acid SCHEMBL27681692 0.83 AOC3 (0.44) AOC3CYP2C19CYP2D6CYP1A2LMNA
SCHEMBL60356 0.81 AOC3 (0.57) AOC3CYP2D6LMNACES2CES1
SCHEMBL9683893 0.81 AOC3 (0.57) AOC3CYP2D6LMNACES2CES1
SCHEMBL5940495 0.80 CYP2D6 (0.48) AOC3CYP2C19CYP2D6CYP1A2LMNA
SCHEMBL5860575 0.80 LMNA (0.48) AOC3CYP2C19CYP2D6LMNACES2
SCHEMBL8496310 0.80 CYP2D6 (0.48) AOC3CYP2C19CYP2D6CYP1A2LMNA
SCHEMBL29833611 0.79 LMNA (0.47) AOC3CYP2C19CYP2D6CYP1A2LMNA
SCHEMBL2996171 0.79 GRM4 (0.43) LMNA
SCHEMBL411887 0.79 AOC3 (0.59) AOC3LMNAHIF1AADRA2AADRA2C

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
JP-7327688-A None JP disclosed
EP-2239335-B1 PROCESS FOR PRODUCTION OF SERINE DERIVATIVE, AND PROTEIN FOR USE IN THE PROCESS AJINOMOTO KK (JP) 2013-02-27 EP disclosed
US-8372607-B2 Method for producing serine derivative and protein used for the same AJINOMOTO CO., INC. (JP) 2013-02-12 US disclosed
US-20100317068-A1 METHOD FOR PRODUCING SERINE DERIVATIVE AND PROTEIN USED FOR THE SAME AJINOMOTO CO., INC. (JP) 2010-12-16 US disclosed
EP-2239335-A1 PROCESS FOR PRODUCTION OF SERINE DERIVATIVE, AND PROTEIN FOR USE IN THE PROCESS Ajinomoto Co., Inc. (JP) 2010-10-13 EP disclosed
EP-0507153-B1 Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenyl-propionic acids CELGENE CORP (US) 1997-07-09 EP disclosed
JP-H07327688-A PRODUCTION OF ALPHA-METHYL-BETA-HYDROXYPHENYLALANINE OR ITS DERIVATIVE AJINOMOTO CO INC 1995-12-19 JP disclosed
US-5346828-A Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenylpropionic acids using d-threonine aldolase CELGENE CORPORATION (US) 1994-09-13 US disclosed
EP-0507153-A2 Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenyl-propionic acids CELGENE CORPORATION (US) 1992-10-07 EP disclosed
US-3998955-A 2-CARBOXY OR 2-ALKOXYCARBONYL-PYRIDINES CIBA-GEIGY CORPORATION (US) 1976-12-21 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-20100317068-A1 METHOD FOR PRODUCING SERINE DERIVATIVE AND PROTEIN USED FOR THE SAME SPR, AMD1, DAO AOC3 3222/4885CYP2C19 3486/4885CYP2D6 1552/4885

“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.