SCHEMBL20534282

SCHEMBL20534282

O=C(O)CN1C(=O)SC(=Cc2ccc(O)c(Cl)c2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.71
AKR1B1 P15121 6/20 0.69
MCL1 Q07820 1/20 0.59
BAG3 O95817 1/20 0.58

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
SCHEMBL20534281 1.00 CA9 (0.71) CA9AKR1B1MCL1BAG3
SCHEMBL17768881 0.86 MEN1 (0.70) CA9AKR1B1MCL1
SCHEMBL8172925 0.85 AKR1B1 (0.69) CA9AKR1B1MCL1BAG3
SCHEMBL8172926 0.85 AKR1B1 (0.69) CA9AKR1B1MCL1BAG3
SCHEMBL21783176 0.85 BAG3 (0.82) AKR1B1BAG3
SCHEMBL20534275 0.83 CA9 (1.00) CA9AKR1B1MCL1
SCHEMBL20534471 0.83 CA9 (1.00) CA9AKR1B1MCL1
SCHEMBL20534437 0.82 AKR1B1 (0.77) CA9AKR1B1
SCHEMBL20534436 0.82 AKR1B1 (0.77) CA9AKR1B1
SCHEMBL20534606 0.82 AKR1B1 (1.00) CA9AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
EP-3609494-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY La Trobe University (AU) 2020-02-19 EP disclosed
CN-110621315-A Heterocyclic inhibitors of lysine biosynthesis via the diaminopimelic acid pathway 拉筹伯大学 2019-12-27 CN disclosed
WO-2018187845-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2018-10-18 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT CA9 2233/4885AKR1B1 225/4885MCL1 2711/4885

“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.