SCHEMBL3122891

SCHEMBL3122891

O=C(O)NCC(O)CNC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.38
BACE1 P56817 1/20 0.36
BCHE P06276 4/20 0.34
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
BCAT2 O15382 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
SCHEMBL16197865 0.87 CYP2D6 (0.52) CYP2D6CYP2C19BACE1
SCHEMBL1221870 0.86
SCHEMBL15044027 0.86
SCHEMBL3321903 0.86
SCHEMBL18342160 0.84
SCHEMBL3781636 0.84
SCHEMBL3180096 0.84
SCHEMBL20482750 0.84
SCHEMBL20595525 0.84
SCHEMBL18125948 0.84 SLC22A6 (0.57) CYP2D6CYP2C19SLC22A6GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8165271-A None JP disclosed
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN RESEARCH & DEVELOPMENT, LLC 2024-05-16 US disclosed
US-11897970-B2 Antibacterial products THE UNIVERSITY OF LIVERPOOL (GB) 2024-02-13 US disclosed
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 US disclosed
EP-3938377-A1 CYCLIC PEPTIDE ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-01-19 EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS THE UNIVERSITY OF LIVERPOOL (GB) 2021-05-13 US disclosed
EP-3426248-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2019-01-16 EP disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2017155765-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
JP-H08165271-A PRODUCTION OF 2-HYDROXY-1,3-PROPANEDIAMINEPOLYCARBOXYLIC ACID, ITS ALKALI SALT AND BIODEGRADABLE CHELATE REAGENT CONTAINING THE SAME NITTO CHEM IND CO LTD 1996-06-25 JP 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 (7 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-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CYP2D6 4759/4885CYP2C19 4811/4885SLC22A6 3023/4885
US-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS DBI, MRPL21, NRDC CYP2D6 1525/4885CYP2C19 1825/4885SLC22A6 1000/4885
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP CYP2D6 4358/4885CYP2C19 4280/4885SLC22A6 2566/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S CYP2D6 384/4885CYP2C19 85/4885SLC22A6 603/4885
US-11897970-B2 Antibacterial products DBI, PDIA5, ABCB11 CYP2D6 1114/4885CYP2C19 1415/4885SLC22A6 771/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 CYP2D6 704/4885CYP2C19 380/4885SLC22A6 408/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 CYP2D6 555/4885CYP2C19 405/4885SLC22A6 297/4885

“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.