Phenylalanine

Phenylalanine

SCHEMBL2679075

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

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 known ✓ P0DMS8 1/20 0.51
▸ SLC7A5 Q01650 4/20 0.85
▸ PTGS1 P23219 2/20 0.85
▸ ALPI P09923 1/20 0.85
▸ PKM P14618 1/20 0.85
▸ XIAP P98170 1/20 0.85
▸ SLC1A3 P43003 2/20 0.61
▸ SLC1A2 P43004 2/20 0.61
▸ SLC1A1 P43005 2/20 0.61
▸ SLC15A1 P46059 1/20 0.61
▸ LTA4H P09960 1/20 0.57
▸ CYP1A2 P05177 1/20 0.53
▸ GRIA2 P42262 1/20 0.53
▸ CPA1 P15085 2/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPA3 P15088 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ EGFR P00533 1/20 0.51

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
Dl-Phenylalanine SCHEMBL1637917 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL4862934 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL1011892 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
D-Phenylalanine SCHEMBL1537448 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL3496164 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL9650016 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL1675272 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL218898 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL21816915 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL27579186 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP

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
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 — — US disclosed
US-8173133-B2 Acyl pseudodipeptides which carry a functionalized auxiliary arm OM PHARMA (CH) 2012-05-08 — — US disclosed
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 — — US disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 — — US disclosed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 — — US disclosed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 — — US disclosed
EP-1242365-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM Pharma (CH) 2002-09-25 — — EP disclosed
WO-2001046126-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM PHARMA (CH) 2001-06-28 — — WO disclosed
WO-2001046127-A1 ACYL PSEUDOPEPTIDES BEARING A FUNCTIONALISED AUXILIARY SPACER OM PHARMA (CH) 2001-06-28 — — 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 (4 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-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 ADORA3 1345/4885SLC7A5 87/4885PTGS1 2508/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 ADORA3 1732/4885SLC7A5 75/4885PTGS1 3747/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 ADORA3 1355/4885SLC7A5 165/4885PTGS1 3623/4885
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, ENPEP, DNPEP ADORA3 1262/4885SLC7A5 174/4885PTGS1 3078/4885

“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.

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