SCHEMBL5162122

SCHEMBL5162122

CC(CSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.50
ARG2 P78540 1/20 0.50
NOS2 P35228 3/20 0.49
NOS1 P29475 2/20 0.49
NOS3 P29474 1/20 0.49
SLC7A5 Q01650 1/20 0.46
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
BHMT Q93088 2/20 0.44
BHMT2 Q9H2M3 1/20 0.44
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 1/20 0.42
GABRR1 P24046 2/20 0.41
KIF11 P52732 1/20 0.41
ENPEP Q07075 1/20 0.41

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
SCHEMBL6233758 1.00 ARG1 (0.50) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14418415 0.88 NOS2 (0.50) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937851 0.86 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937848 0.86 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937853 0.86 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36935 0.86 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36934 0.86 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL29393779 0.86 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL7845774 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL29378137 0.86 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3

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
US-20240366543-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA HEMOSHEAR THERAPEUTICS INC (US) 2024-11-07 US disclosed
EP-4319746-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2022216848-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2022-10-13 WO disclosed
US-20220142955-A1 METHODS OF TREATING ORGANIC ACIDEMIAS Hemoshear Therapeutics, Inc. 2022-05-12 US disclosed
EP-3937922-A1 METHODS OF TREATING ORGANIC ACIDEMIAS Hemoshear Therapeutics, Inc. (US) 2022-01-19 EP disclosed
CN-113557014-A Method for treating organic acidemia 止血治疗有限公司 2021-10-26 CN disclosed
WO-2020186216-A1 METHODS OF TREATING ORGANIC ACIDEMIAS HEMOSHEAR THERAPEUTICS, LLC (US) 2020-09-17 WO disclosed
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
US-7101855-B2 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1144435-B1 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-04-12 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
EP-1612215-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-02-06 US 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
EP-1144435-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043413-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
EP-0180672-B1 PROCESS FOR THE PRODUCTION OF FLAVOR ENHANCING SEASONINGS AJINOMOTO CO., INC. (JP) 1988-09-21 EP disclosed
US-4741914-A WITH GLUTAMIC ACID SALT AJINOMOTO CO., INC. (JP) 1988-05-03 US disclosed
EP-0180672-A1 Process for the production of flavor enhancing seasonings AJINOMOTO CO., INC. (JP) 1986-05-14 EP 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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 ARG1 3338/4885ARG2 4380/4885NOS2 2609/4885
US-20240366543-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA MMAB, OTC, ME2 ARG1 1222/4885ARG2 351/4885NOS2 1594/4885
US-20220142955-A1 METHODS OF TREATING ORGANIC ACIDEMIAS OTC, OAT, PCCA ARG1 1103/4885ARG2 310/4885NOS2 770/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ARG1 1694/4885ARG2 1682/4885NOS2 2791/4885

“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.