Phenylalanine Methyl Ester

Phenylalanine Methyl Ester

SCHEMBL7250904

COC(=O)C(N)Cc1ccccc1.N[C@@H](Cc1ccc2c(c1)OCCO2)C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL1744754 0.91 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL1744756 0.91 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3788967 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1744966 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2058611 0.83 CYP3A4 (0.61) SMN1; SMN2ALDH1A1HPGDGAAMAPT
Phenylalanine Methyl Ester SCHEMBL29087575 0.83 SLC7A5 (0.73) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL5693500 0.83 SLC7A5 (0.73) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28561355 0.82 CYP3A4 (0.59) SMN1; SMN2ALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL28561354 0.82 CYP3A4 (0.59) SMN1; SMN2ALDH1A1HPGDGAAMAPT
Phenylalanine Methyl Ester SCHEMBL11664826 0.81 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-31 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-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 SLC7A5 3833/4885ALPI 1571/4885PKM 3448/4885

“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.