SCHEMBL17112282

SCHEMBL17112282

CSC(=N)NCCNC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17112338 0.91 CYP2C19 (0.34) CYP2D6CYP2C19ALDH1A1
SCHEMBL17111911 0.86 MEN1 (0.39) ALDH1A1
SCHEMBL17234477 0.80 ECE1 (0.42)
SCHEMBL4047411 0.74 CYP2D6 (0.45) CYP2D6CYP2C19ALDH1A1
SCHEMBL21451502 0.73
SCHEMBL8244841 0.73
Iodide SCHEMBL28682486 0.73 EGLN1 (0.40) ALDH1A1
Iodide SCHEMBL11683597 0.71
SCHEMBL31613206 0.71 CYP2D6 (0.43) CYP2D6CYP2C19ALDH1A1
SCHEMBL7440465 0.70

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511328-B1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2021-03-03 EP disclosed
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 US disclosed
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2019-08-06 US disclosed
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-08-01 US disclosed
EP-3511328-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2019-07-17 EP disclosed
EP-3122745-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2017-02-01 EP disclosed
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9174978-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2015-11-03 US disclosed
WO-2015148379-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-10-01 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 (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-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CYP2D6 84/4885CYP2C19 50/4885ALDH1A1 431/4885
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CYP2D6 84/4885CYP2C19 50/4885ALDH1A1 431/4885
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections MGAM, MGAM2, BPGM CYP2D6 84/4885CYP2C19 50/4885ALDH1A1 431/4885
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CYP2D6 84/4885CYP2C19 50/4885ALDH1A1 431/4885

“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.