Phenylalanine

Phenylalanine

SCHEMBL1921318

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

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
PTGS1 known ✓ P23219 1/20 0.55
SLC7A5 Q01650 2/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
XIAP P98170 1/20 0.55
THRB P10828 1/20 0.53
MMP2 P08253 2/20 0.51
GSR P00390 2/20 0.50
LTA4H P09960 1/20 0.50
SLC15A1 P46059 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CPA3 P15088 1/20 0.47
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45

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 SCHEMBL1921315 1.00 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921649 0.95 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20586939 0.94 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921945 0.94 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921946 0.94 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28079151 0.92 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921833 0.91 SLC7A5 (0.67) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL1649464 0.90 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL1921493 0.90 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL26598018 0.90 SLC7A5 (0.57) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800481-B2 2011-10-26 JP claimed
US-20100298227-A1 Treatment of autoimmune conditions with Copolymer 1 and related copolymers President and Fellows of Harvard College and Yeda Research 2010-11-25 US claimed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US claimed
US-20050233948-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2005-10-20 US claimed
US-20030035804-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2003-02-20 US claimed
EP-1098902-A4 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2002-07-24 EP claimed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP claimed
EP-1098902-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-05-16 EP claimed
WO-2000005250-A9 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2000-10-12 WO claimed
WO-2000005250-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO., LTD (IL) 2000-02-03 WO claimed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 WO claimed
WO-2000001419-A1 DRUG COMPLEX FOR TREATMENT OF METASTATIC PROSTATE CANCER JCRT RADIATION ONCOLOGY SUPPORT SERVICES, INC. (US) 2000-01-13 WO claimed
US-9066905-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-30 US disclosed
EP-2848627-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2015-03-18 EP disclosed
EP-2327712-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2011-06-01 EP disclosed
US-7566767-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-28 US disclosed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US disclosed
US-20040006022-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-01-08 US disclosed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP disclosed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 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 (2 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-20050233948-A1 Drug complex for treatment of metastatic prostate cancer KLK3, ACP3, FOLH1 PTGS1 2782/4885SLC7A5 797/4885ALPI 2239/4885
US-20030035804-A1 Drug complex for treatment of metastatic prostate cancer KLK3, ACP3, FOLH1 PTGS1 2782/4885SLC7A5 797/4885ALPI 2239/4885

“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.