SCHEMBL21783161

SCHEMBL21783161

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.78
PPARG P37231 4/20 0.76
BAG3 O95817 1/20 0.68
CISD1 Q9NZ45 1/20 0.66
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 1/20 0.63
HPGD P15428 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 1/20 0.62
POLB P06746 1/20 0.61
PABPC1 P11940 1/20 0.61
SLC1A3 P43003 1/20 0.61

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 0.88 AKR1B1 (1.00) AKR1B1CISD1POLBPABPC1
SCHEMBL8188593 0.88 AKR1B1 (1.00) AKR1B1CISD1POLBPABPC1
SCHEMBL21783144 0.87 PPARG (0.77) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL22092306 0.86 PPARG (1.00) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL21783143 0.86 PPARG (1.00) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL28374629 0.85 PPARG (0.81) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL21783127 0.85 PPARG (0.81) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL20534277 0.83 ALDH1A1 (0.76) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL21783131 0.83 BAG3 (0.72) AKR1B1PPARGBAG3ALDH1A1MEN1
SCHEMBL20534278 0.83 ALDH1A1 (0.76) AKR1B1PPARGBAG3ALDH1A1MEN1

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 AKR1B1 225/4885PPARG 3668/4885BAG3 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.