SCHEMBL8188593

SCHEMBL8188593

COc1cccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 1.00
CA9 Q16790 1/20 0.74
PTPN1 P18031 1/20 0.70
CISD1 Q9NZ45 1/20 0.70
POLB P06746 1/20 0.65
PABPC1 P11940 1/20 0.65

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
SCHEMBL8188594 1.00 AKR1B1 (1.00) AKR1B1CA9PTPN1CISD1POLB
SCHEMBL8182726 0.89 AKR1B1 (0.80) AKR1B1CA9PTPN1
SCHEMBL8182730 0.89 AKR1B1 (0.80) AKR1B1CA9PTPN1
SCHEMBL6887509 0.89 AKR1B1 (1.00) AKR1B1PTPN1POLB
SCHEMBL6887504 0.89 AKR1B1 (1.00) AKR1B1PTPN1POLB
SCHEMBL21783161 0.88 AKR1B1 (0.78) AKR1B1CISD1POLBPABPC1
SCHEMBL8188774 0.85 CA9 (1.00) AKR1B1CA9
SCHEMBL8188771 0.85 CA9 (1.00) AKR1B1CA9
SCHEMBL20534436 0.83 AKR1B1 (0.77) AKR1B1CA9PTPN1
SCHEMBL20534437 0.83 AKR1B1 (0.77) AKR1B1CA9PTPN1

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 6 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
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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 225/4885CA9 2233/4885PTPN1 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.