SCHEMBL4586624

SCHEMBL4586624

C[C@@H](OC(=O)[C@@H](N)Cc1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
SLC1A3 P43003 4/20 0.53
SLC1A2 P43004 4/20 0.53
SLC1A1 P43005 4/20 0.53
LTA4H P09960 2/20 0.49
SLC15A1 P46059 2/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 2/20 0.46
DNPEP Q9ULA0 2/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SRR Q9GZT4 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 SCHEMBL6130121 0.90 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL9216397 0.89 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1821153 0.88 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18067508 0.88 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2723492 0.88 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL222259 0.86 MMP2 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14434512 0.85 ERAP2 (0.44) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL6130124 0.85 SLC7A5 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5434911 0.84 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1323648 0.84 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5

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 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220034892-A1 Metabolomic Signatures for Predicting, Diagnosing, and Prognosing Various Diseases Including Cancer Metabolomycs, Inc. (US) 2022-02-03 US disclosed
US-20220034893-A1 Metabolomic Signatures for Predicting, Diagnosing, and Prognosing Various Diseases Including Cancer Metabolomycs, Inc. (US) 2022-02-03 US disclosed
US-11181525-B2 Metabolomic signatures for predicting, diagnosing, and prognosing various diseases including cancer Metabolomyes, Inc. (US) 2021-11-23 US disclosed
US-11181524-B2 Metabolomic signatures for predicting, diagnosing, and prognosing various diseases including cancer METABOLOMYCS, INC (US) 2021-11-23 US disclosed
US-20210190785-A1 Biomarkers for Assessing Breast Cancer BIOCRATES LIFE SCIENCE AG (AT) 2021-06-24 US disclosed
EP-3806719-A1 METABOLOMIC SIGNATURES FOR PREDICTING, DIAGNOSING, AND PROGNOSING VARIOUS DISEASES INCLUDING CANCER Metabolomycs, Inc. (US) 2021-04-21 EP disclosed
US-10962542-B2 Biomarkers for assessing breast cancer Metabolomycs, Inc. 2021-03-30 US disclosed
US-20210003578-A1 Metabolomic Signatures for Predicting, Diagnosing, and Prognosing Various Diseases Including Cancer Metabolomycs, Inc. (US) 2021-01-07 US disclosed
US-20200200754-A1 Metabolomic Signatures for Predicting, Diagnosing, and Prognosing Various Diseases Including Cancer Metabolomycs, Inc. (US) 2020-06-25 US disclosed
EP-3191845-B1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS CLINICA DE DIAGNOSTICOS MEDICOS LTDA (BR) 2019-10-23 EP disclosed
WO-1997039126-A1 NOVEL RANTES HOMOLOG FROM PROSTATE INCYTE PHARMACEUTICALS, INC. (US) 1997-10-23 WO disclosed
WO-1997038100-A1 HUMAN CACHEXIA ASSOCIATED PROTEIN INCYTE PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
WO-1997035989-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INCYTE PHARMACEUTICALS, INC. (US) 1997-10-02 WO disclosed
WO-1997035006-A1 HUMAN CELL DEATH-ASSOCIATED PROTEIN INCYTE PHARMACEUTICALS, INC. (US) 1997-09-25 WO disclosed
US-5663059-A POLYNUCLEOTIDE WITH CODE, GENE EXPRESSION INCYTE PHARMACEUTICALS, INC. (US) 1997-09-02 US disclosed
WO-1997030157-A1 NOVEL HUMAN MYELOID TERMINAL DIFFERENTIATION RESPONSE GENE INCYTE PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed
US-5648238-A GENETIC ENGINEERING INCYTE PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
US-5648239-A DIAGNOSIS INCYTE PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
WO-1997024441-A1 NUCLEIC ACIDS ENCODING INTERFERON GAMMA INDUCING FACTOR-2 INCYTE PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
WO-1997024437-A1 NOVEL POLYNUCLEOTIDES PANC1A AND PANC1B ASSOCIATED WITH PANCREATIC CANCER INCYTE PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed