SCHEMBL15817052

SCHEMBL15817052

CCOc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.78
▸ AKR1B1 P15121 5/20 0.73
▸ PTPN1 P18031 1/20 0.71
▸ MAPK1 P28482 2/20 0.69
▸ MAOA P21397 1/20 0.69
▸ MAOB P27338 1/20 0.69
▸ PPARG P37231 2/20 0.66

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
SCHEMBL15817056 1.00 CA9 (0.78) CA9AKR1B1PTPN1MAPK1MAOA
SCHEMBL15817054 1.00 CA9 (0.78) CA9AKR1B1PTPN1MAPK1MAOA
SCHEMBL21783184 0.89 PPARG (0.83) CA9AKR1B1MAPK1MAOAMAOB
SCHEMBL29408603 0.88 MITF (0.80) AKR1B1PTPN1MAPK1
SCHEMBL19736237 0.88 MITF (0.80) AKR1B1PTPN1MAPK1
SCHEMBL8188774 0.88 CA9 (1.00) CA9AKR1B1PPARG
SCHEMBL8188771 0.88 CA9 (1.00) CA9AKR1B1PPARG
SCHEMBL8186338 0.88 AKR1B1 (0.70) CA9AKR1B1PTPN1PPARG
SCHEMBL8186339 0.88 AKR1B1 (0.70) CA9AKR1B1PTPN1PPARG
SCHEMBL8182730 0.86 AKR1B1 (0.80) CA9AKR1B1PTPN1

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 7 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
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — US 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 (2 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 CA9 2233/4885AKR1B1 225/4885PTPN1 3470/4885
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 CA9 4788/4885AKR1B1 1067/4885PTPN1 230/4885

“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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