SCHEMBL20534554

SCHEMBL20534554

COc1ccc(/C=C2\NC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.79
▸ CA9 Q16790 1/20 0.60
▸ AKR1B1 P15121 1/20 0.59
▸ PSMB5 P28074 1/20 0.51
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CLK1 P49759 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ PIM1 P11309 2/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ DYRK2 Q92630 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL20534545 1.00 ALDH1A1 (0.79) ALDH1A1CA9AKR1B1PSMB5GAA
SCHEMBL20534546 1.00 ALDH1A1 (0.79) ALDH1A1CA9AKR1B1PSMB5GAA
SCHEMBL20534417 0.89 ALDH1A1 (0.63) ALDH1A1CA9AKR1B1PSMB5LMNA
SCHEMBL20534419 0.89 ALDH1A1 (0.63) ALDH1A1CA9AKR1B1PSMB5LMNA
SCHEMBL20534342 0.89 ALDH1A1 (0.63) ALDH1A1CA9AKR1B1PSMB5LMNA
SCHEMBL21783132 0.86 ALDH1A1 (0.82) ALDH1A1AKR1B1GAALMNAKDM4E
SCHEMBL12177499 0.81 ALDH1A1 (0.70) ALDH1A1AKR1B1GAALMNAKDM4E
SCHEMBL12177570 0.81 ALDH1A1 (0.66) ALDH1A1AKR1B1GAAKDM4EPOLB
SCHEMBL12177719 0.80 ALDH1A1 (0.65) ALDH1A1AKR1B1GAAKDM4EPOLB
SCHEMBL16223212 0.80 ALDH1A1 (0.51) ALDH1A1AKR1B1GAALMNAKDM4E

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
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 — — US disclosed
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 ALDH1A1 461/4885CA9 2233/4885AKR1B1 225/4885

“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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