SCHEMBL21783176

SCHEMBL21783176

CCOC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAG3 O95817 1/20 0.82
PPARG P37231 7/20 0.74
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
S1PR1 P21453 1/20 0.63
S1PR3 Q99500 1/20 0.63
SLC1A3 P43003 1/20 0.61
HPGD P15428 1/20 0.61
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
ITGB2 P05107 1/20 0.58
ITGAM P11215 1/20 0.58
AKR1B1 P15121 2/20 0.57

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 0.85 PPARG (1.00) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL20534281 0.85 CA9 (0.71) BAG3AKR1B1
SCHEMBL20534282 0.85 CA9 (0.71) BAG3AKR1B1
SCHEMBL21783144 0.84 PPARG (0.77) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL21783153 0.84 PPARG (0.84) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL21783145 0.83 PPARG (1.00) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL20534278 0.81 ALDH1A1 (0.76) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL21783131 0.81 BAG3 (0.72) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL21783142 0.81 PPARG (0.82) BAG3PPARGALDH1A1MEN1KMT2A
SCHEMBL21783127 0.80 PPARG (0.81) BAG3PPARGALDH1A1MEN1KMT2A

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 BAG3 4493/4885PPARG 3668/4885ALDH1A1 461/4885

“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.