SCHEMBL20534367

SCHEMBL20534367

O=C(O)CN1C(=O)SC(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C1=O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.77
▸ ADAMTS5 Q9UNA0 1/20 0.68
▸ PTPN1 P18031 4/20 0.64
▸ ENPP2 Q13822 2/20 0.63
▸ PTPN2 P17706 3/20 0.61
▸ ACP1 P24666 3/20 0.61

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
SCHEMBL20534366 1.00 AKR1B1 (0.77) AKR1B1ADAMTS5PTPN1ENPP2PTPN2
SCHEMBL5218036 0.91 AKR1B1 (0.89) AKR1B1ADAMTS5PTPN1ENPP2
SCHEMBL5218032 0.91 AKR1B1 (0.89) AKR1B1ADAMTS5PTPN1ENPP2
SCHEMBL20534413 0.83 AKR1B1 (1.00) AKR1B1PTPN1ENPP2PTPN2ACP1
SCHEMBL20534415 0.83 AKR1B1 (1.00) AKR1B1PTPN1ENPP2PTPN2ACP1
SCHEMBL186520 0.81 ADAMTS5 (1.00) AKR1B1ADAMTS5PTPN1
SCHEMBL245003 0.81 ADAMTS5 (1.00) AKR1B1ADAMTS5PTPN1
SCHEMBL5217054 0.80 ADAMTS5 (0.89) AKR1B1ADAMTS5PTPN1
SCHEMBL5217062 0.80 ADAMTS5 (0.89) AKR1B1ADAMTS5PTPN1
SCHEMBL20534282 0.80 CA9 (0.71) AKR1B1

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 3 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
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 AKR1B1 225/4885ADAMTS5 3027/4885PTPN1 3470/4885

“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.

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