SCHEMBL19472012

SCHEMBL19472012

C=CCOC(=O)[C@@H](N)Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
PTGS1 P23219 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
PTPN1 P18031 2/20 0.45
TPH1 P17752 5/20 0.44
GRB2 P62993 1/20 0.44
ALOX15 P16050 3/20 0.44
HIF1A Q16665 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44

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
Tyrosine SCHEMBL27709789 0.90 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL11133474 0.90 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL28813646 0.87 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1079463 0.85 ALPI (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2515423 0.85 ALPI (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1692431 0.85 ALPI (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1827246 0.84 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1827244 0.84 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4268012 0.84 ALDH1A1 (0.42) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL607242 0.84 SLC7A5 (0.56) SLC7A5KDM4EHSD17B10CYP3A4ALDH1A1

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-20190127315-A1 METHOD FOR PREPARING D-4,4'-BIPHENYLALANINE ALKYL ESTER OR L-4,4'-BIPHENYLALANINE ALKYL ESTER FROM DL-4,4'-BIPHENYLALANINE ALKYL ESTER AMINOLOGICS CO., LTD. (KR) 2019-05-02 US claimed
US-20190127315-A1 METHOD FOR PREPARING D-4,4'-BIPHENYLALANINE ALKYL ESTER OR L-4,4'-BIPHENYLALANINE ALKYL ESTER FROM DL-4,4'-BIPHENYLALANINE ALKYL ESTER AMINOLOGICS CO., LTD. (KR) 2019-05-02 US disclosed
US-20190127315-A1 METHOD FOR PREPARING D-4,4'-BIPHENYLALANINE ALKYL ESTER OR L-4,4'-BIPHENYLALANINE ALKYL ESTER FROM DL-4,4'-BIPHENYLALANINE ALKYL ESTER AMINOLOGICS CO., LTD. (KR) 2019-05-02 US disclosed
WO-2017183835-A1 METHOD FOR PREPARING D-4,4'-BIPHENYLALANINE ALKYL ESTER OR L-4,4'-BIPHENYLALANINE ALKYL ESTER FROM DL-4,4'-BIPHENYLALANINE ALKYL ESTER 주식회사 아미노로직스 2017-10-26 WO 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-20190127315-A1 METHOD FOR PREPARING D-4,4'-BIPHENYLALANINE ALKYL ESTER OR L-4,4'-BIPHENYLALANINE ALKYL ESTER FROM DL-4,4'-BIPHENYLALANINE ALKYL ESTER DDT, DLST, LPAR4 SLC7A5 674/4885PTGS1 4785/4885ALPI 4205/4885

“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.