SCHEMBL18114792

SCHEMBL18114792

C=CCONC1CN(C(=O)OC(C)(C)C)Cc2c1sc(=O)n2CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.34
DTYMK P23919 1/20 0.30
GLS O94925 1/20 0.30

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
SCHEMBL18107012 0.87 GLS (0.33) KRASGLS
SCHEMBL18114793 0.83 GLS (0.31) KRASGLS
SCHEMBL20018577 0.82 GLS (0.32) GLS
SCHEMBL18114791 0.81 DTYMK (0.35) KRASDTYMKGLS
SCHEMBL21638825 0.75 NR1H2 (0.32) GLS
SCHEMBL20111128 0.75 MAPT (0.33) GLS
SCHEMBL21638878 0.73 DTYMK (0.39) KRASDTYMK
SCHEMBL18114790 0.71 NR1H2 (0.33) KRASDTYMKGLS
SCHEMBL5186984 0.71 BCDIN3D (0.35) KRAS
SCHEMBL20022741 0.70 NAMPT (0.36) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277277-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2021-01-06 EP disclosed
EP-3277277-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2021-01-06 EP disclosed
CN-107438614-B Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2020-01-31 CN disclosed
US-20180118765-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-05-03 US disclosed
US-20180118765-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-05-03 US disclosed
EP-3277277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-02-07 EP disclosed
WO-2016156597-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-10-06 WO disclosed
WO-2016156597-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-10-06 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 (1 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-20180118765-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, LCT KRAS 651/4885DTYMK 1014/4885GLS 1770/4885

“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.