SCHEMBL20534506

SCHEMBL20534506

COc1cccc(C=C2SC(=O)N(CC(=O)O)C2=O)c1OC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.67
▸ TCF7L2 Q9NQB0 1/20 0.67
▸ AKR1B1 P15121 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ CISD1 Q9NZ45 1/20 0.56

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
SCHEMBL21783124 1.00 CTNNB1 (0.67) CTNNB1TCF7L2AKR1B1ALDH1A1KMT2A
SCHEMBL20534584 0.90 MAOA (0.69) AKR1B1CA9MAOAMAOBCISD1
SCHEMBL17319530 0.90 MAOA (0.69) AKR1B1CA9MAOAMAOBCISD1
SCHEMBL20534555 0.89 AKR1B1 (0.61) AKR1B1CA9MAOAMAOBCISD1
SCHEMBL20534556 0.89 AKR1B1 (0.61) AKR1B1CA9MAOAMAOBCISD1
SCHEMBL21773419 0.89 AKR1B1 (0.61) AKR1B1CA9MAOAMAOBCISD1
SCHEMBL21783134 0.87 PPARG (0.64) CTNNB1TCF7L2ALDH1A1KMT2A
SCHEMBL20534482 0.87 PPARG (0.64) CTNNB1TCF7L2ALDH1A1KMT2A
SCHEMBL20534483 0.87 PPARG (0.64) CTNNB1TCF7L2ALDH1A1KMT2A
SCHEMBL8185563 0.83 CA9 (0.61) AKR1B1CA9

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 CTNNB1 4404/4885TCF7L2 3142/4885AKR1B1 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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