SCHEMBL2059189

SCHEMBL2059189

COC(=O)[C@@H](N)C(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL28742515 1.00 SLC7A5 (0.39) SLC7A5SLC1A1SLC1A3SLC1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL5741666 0.98 SLC7A5 (0.38) SLC7A5SLC1A1SLC1A3SLC1A2SMN1; SMN2
SCHEMBL2059192 0.83 SLC7A5 (0.44) SLC7A5SLC1A1SLC1A3SLC1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL27548420 0.82 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2SMN1; SMN2
SCHEMBL14668832 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA12
SCHEMBL4441664 0.80 SLC7A5 (0.55) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
SCHEMBL3891579 0.80 SLC7A5 (0.55) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Methane SCHEMBL2033946 0.78 SLC7A5 (0.52) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Methane SCHEMBL2032537 0.78 SLC7A5 (0.52) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
SCHEMBL7366567 0.75 SLC1A1 (0.52) SLC7A5SLC1A1SLC1A3SLC1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997155-A A kind of polypeptide raw material aspartic acid β-tert-butyl ester α-methyl ester hydrochloride preparation method 吉尔生化(上海)有限公司 2018-12-14 CN claimed
CN-108997155-A A kind of polypeptide raw material aspartic acid β-tert-butyl ester α-methyl ester hydrochloride preparation method 吉尔生化(上海)有限公司 2018-12-14 CN disclosed
CN-108997155-A A kind of polypeptide raw material aspartic acid β-tert-butyl ester α-methyl ester hydrochloride preparation method 吉尔生化(上海)有限公司 2018-12-14 CN disclosed
US-7968547-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-7741328-B2 Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds ELAN PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1144388-B1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARM INC (US) 2010-01-13 EP disclosed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20020165230-A1 Gamma-ketoacid dipeptides as inhibitors of caspase-3 MERCK CANADA INC. (CA) 2002-11-07 US disclosed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US disclosed
WO-2002048179-A1 GAMMA-KETOACID DIPEPTIDE DERIVATIVES AS INHIBITORS OF CASPASE-3 MERCK FROSST CANADA & CO. (CA) 2002-06-20 WO disclosed
US-6407066-B1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-06-18 US disclosed
WO-2002020465-A2 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 MERCK FROSST CANADA & CO. (CA) 2002-03-14 WO disclosed
WO-2001021599-A1 CASPASE INHIBITOR LG CHEMICAL LTD. (KR) 2001-03-29 WO disclosed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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-20020165230-A1 Gamma-ketoacid dipeptides as inhibitors of caspase-3 CASP3, CASP1, CASP10 SLC7A5 2564/4885SLC1A1 577/4885SLC1A3 376/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 SLC7A5 2959/4885SLC1A1 544/4885SLC1A3 779/4885

“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.