SCHEMBL20534342

SCHEMBL20534342

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ PSMB5 P28074 1/20 0.60
▸ MAPT P10636 5/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ AKR1B1 P15121 1/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ IDH1 O75874 2/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 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
SCHEMBL20534419 1.00 ALDH1A1 (0.63) ALDH1A1PSMB5MAPTLMNACA9
SCHEMBL20534417 1.00 ALDH1A1 (0.63) ALDH1A1PSMB5MAPTLMNACA9
SCHEMBL20534545 0.89 ALDH1A1 (0.79) ALDH1A1PSMB5MAPTLMNACA9
SCHEMBL20534554 0.89 ALDH1A1 (0.79) ALDH1A1PSMB5MAPTLMNACA9
SCHEMBL20534546 0.89 ALDH1A1 (0.79) ALDH1A1PSMB5MAPTLMNACA9
SCHEMBL21783133 0.87 ALDH1A1 (0.68) ALDH1A1PSMB5MAPTLMNAAKR1B1
SCHEMBL14769790 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMAPK1IDH1
SCHEMBL21783132 0.76 ALDH1A1 (0.82) ALDH1A1MAPTLMNAAKR1B1MAPK1
SCHEMBL20534340 0.76 MAPT (0.79) ALDH1A1MAPTCA9AKR1B1MAPK1
SCHEMBL10492239 0.76 MAPT (0.79) ALDH1A1MAPTCA9AKR1B1MAPK1

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 461/4885PSMB5 1437/4885MAPT 3729/4885

“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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