Phenylalanine Methyl Ester

Phenylalanine Methyl Ester

SCHEMBL9301524

COC(=O)[C@@H](N)Cc1ccccc1.O=S(=O)(O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phenylalanine Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 1/20 0.47
SLC7A5 Q01650 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ANPEP P15144 2/20 0.49
LTA4H P09960 1/20 0.49
POLB P06746 1/20 0.49
SLC15A1 P46059 1/20 0.49
CA1 P00915 1/20 0.48
ATM Q13315 1/20 0.48

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
Phenylalanine Methyl Ester SCHEMBL9356083 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL4996192 0.97 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL14988957 0.94 MEN1 (0.57) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL186022 0.93 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL27880854 0.93 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74887 0.93 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74888 0.93 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL136409 0.92 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL2237414 0.92 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL136408 0.92 SLC7A5 (0.61) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109847455-B Composite material for filtering fine particles, preparation method and application thereof 四川大学 2021-07-06 CN claimed
CN-119899373-A (-) -Gossypol derivative and preparation method thereof and antioxidant 武汉轻工大学 2025-04-29 CN disclosed
CN-109847455-B Composite material for filtering fine particles, preparation method and application thereof 四川大学 2021-07-06 CN disclosed
EP-0376230-B1 Preparation and isolation of mineral acid salt of an amino methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-11-23 EP disclosed
EP-0334236-B1 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-08-31 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
US-5113009-A PREPARATION AND ISOLATION OF MINERAL ACID SALT OF AN AMINO ACID METHYL ESTER MITSUI TOATSU CHEMICALS, INCORPORATED 1992-05-12 US disclosed
EP-0376230-A2 Preparation and isolation of mineral acid salt of an amino methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-04 EP disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed