SCHEMBL4139912

SCHEMBL4139912

O=C1N2Cc3c(cnn3-c3ccccc3)C(C2)N1OS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
USP30 Q70CQ3 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
SLC9A1 P19634 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP7 Q93009 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
UGCG Q16739 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
CNOT7 Q9UIV1 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
SCHEMBL4139914 0.84 ALDH1A1 (0.35) ACLYKEAP1NFE2L2USP30CA9
SCHEMBL5185366 0.81
SCHEMBL24044218 0.81
SCHEMBL4148756 0.79 RAB9A (0.34) ALDH1A1MAPTNPC1SIGMAR1
SCHEMBL4143329 0.78
SCHEMBL4136336 0.76
SCHEMBL5187330 0.76
SCHEMBL4138705 0.76
SCHEMBL4139595 0.75
SCHEMBL4692589 0.75 SLC9A1 (0.37) KEAP1NFE2L2SLC9A1SLC9A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 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 ACLY 719/4885KEAP1 1674/4885NFE2L2 2485/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI ACLY 749/4885KEAP1 1829/4885NFE2L2 2540/4885

“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.