SCHEMBL21783143

SCHEMBL21783143

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 1.00
▸ CA9 Q16790 1/20 0.76
▸ BAG3 O95817 1/20 0.70
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ POLB P06746 1/20 0.68
▸ DUSP3 P51452 1/20 0.68
▸ PTPN5 P54829 1/20 0.68
▸ PTPN11 Q06124 1/20 0.68
▸ CTDSP1 Q9GZU7 1/20 0.68
▸ AKR1B1 P15121 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ HPGD P15428 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MAPK1 P28482 1/20 0.63

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 1.00 PPARG (1.00) PPARGCA9BAG3MEN1KMT2A
SCHEMBL21783184 0.91 PPARG (0.83) PPARGCA9BAG3MEN1KMT2A
SCHEMBL21783145 0.89 PPARG (1.00) PPARGBAG3MEN1KMT2APOLB
SCHEMBL21783156 0.88 PPARG (0.79) PPARGMEN1KMT2APOLBALDH1A1
SCHEMBL21783150 0.88 PPARG (0.79) PPARGCA9KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783153 0.88 PPARG (0.84) PPARGBAG3MEN1KMT2APOLB
SCHEMBL21783171 0.87 PPARG (0.82) PPARGBAG3MEN1KMT2APOLB
SCHEMBL21783164 0.87 PPARG (1.00) PPARGCA9BAG3MEN1KMT2A
SCHEMBL21783142 0.87 PPARG (0.82) PPARGBAG3MEN1KMT2APOLB
SCHEMBL21783127 0.86 PPARG (0.81) PPARGBAG3MEN1KMT2APOLB

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 3668/4885CA9 2233/4885BAG3 4493/4885

“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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