SCHEMBL4138435

SCHEMBL4138435

NC(=O)C1c2c(cnn2-c2ccccc2)C2CN1C(=O)N2OS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
RIPK2 O43353 1/20 0.34
NPC1 O15118 1/20 0.32
PDK2 Q15119 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
SCHEMBL4138430 1.00 SLC9A1 (0.37) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4692589 1.00 SLC9A1 (0.37) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4138433 0.88 SLC9A1 (0.38) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151419 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151415 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151420 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142488 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142485 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142493 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL5187351 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP claimed
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 US 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB SLC9A1 1418/4885SLC9A2 2534/4885KEAP1 1674/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI SLC9A1 1865/4885SLC9A2 2622/4885KEAP1 1829/4885

“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.