SCHEMBL21783184

SCHEMBL21783184

CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.83
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ DUSP3 P51452 1/20 0.74
▸ PTPN5 P54829 1/20 0.74
▸ PTPN11 Q06124 1/20 0.74
▸ CTDSP1 Q9GZU7 1/20 0.74
▸ BAG3 O95817 1/20 0.70
▸ MAPK1 P28482 2/20 0.67
▸ MAOA P21397 1/20 0.67
▸ MAOB P27338 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ AKR1B1 P15121 2/20 0.62
▸ CA9 Q16790 1/20 0.62

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
SCHEMBL22092306 0.91 PPARG (1.00) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL21783143 0.91 PPARG (1.00) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL15817056 0.89 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL15817054 0.89 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL15817052 0.89 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL21783145 0.89 PPARG (1.00) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL15816958 0.89 PPARG (0.66) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL15816956 0.89 PPARG (0.66) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL21783153 0.88 PPARG (0.84) PPARGMEN1KMT2APOLBDUSP3
SCHEMBL21783164 0.87 PPARG (1.00) PPARGMEN1KMT2APOLBDUSP3

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 2 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
CN-110621315-A Heterocyclic inhibitors of lysine biosynthesis via the diaminopimelic acid pathway 拉筹伯大学 2019-12-27 — — CN 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 PPARG 3668/4885MEN1 1902/4885KMT2A 108/4885

“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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