SCHEMBL21783144

SCHEMBL21783144

CCOC(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.77
▸ BAG3 O95817 1/20 0.71
▸ SLC1A3 P43003 1/20 0.68
▸ ALDH1A1 P00352 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ AKR1B1 P15121 4/20 0.63
▸ ITGB2 P05107 1/20 0.62
▸ ITGAM P11215 1/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MAPT P10636 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HPGD P15428 1/20 0.60

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
SCHEMBL21783164 0.87 PPARG (1.00) PPARGBAG3ALDH1A1SMN1; SMN2AKR1B1
SCHEMBL21783127 0.87 PPARG (0.81) PPARGBAG3SLC1A3ALDH1A1SMN1; SMN2
SCHEMBL28374629 0.87 PPARG (0.81) PPARGBAG3SLC1A3ALDH1A1SMN1; SMN2
SCHEMBL21783161 0.87 AKR1B1 (0.78) PPARGBAG3SLC1A3ALDH1A1SMN1; SMN2
SCHEMBL20534437 0.84 AKR1B1 (0.77) AKR1B1MAPT
SCHEMBL20534436 0.84 AKR1B1 (0.77) AKR1B1MAPT
SCHEMBL21783176 0.84 BAG3 (0.82) PPARGBAG3SLC1A3ALDH1A1SMN1; SMN2
SCHEMBL21783131 0.83 BAG3 (0.72) PPARGBAG3ALDH1A1SMN1; SMN2AKR1B1
SCHEMBL21783145 0.82 PPARG (1.00) PPARGBAG3ALDH1A1SMN1; SMN2AKR1B1
SCHEMBL21783163 0.82 PPARG (0.70) PPARGBAG3SLC1A3ALDH1A1SMN1; SMN2

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 3668/4885BAG3 4493/4885SLC1A3 1113/4885

“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.

Send feedback