SCHEMBL21783153

SCHEMBL21783153

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

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.84
AKR1B1 P15121 6/20 0.80
BAG3 O95817 1/20 0.77
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 1/20 0.67
DUSP3 P51452 1/20 0.67
PTPN5 P54829 1/20 0.67
PTPN11 Q06124 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
MAPT P10636 2/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67

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
SCHEMBL21783145 0.91 PPARG (1.00) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL21783164 0.89 PPARG (1.00) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL21783171 0.89 PPARG (0.82) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL21783142 0.89 PPARG (0.82) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL21783127 0.89 PPARG (0.81) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL28374629 0.89 PPARG (0.81) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL20534466 0.88 MEN1 (0.81) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL22092306 0.88 PPARG (1.00) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL20534465 0.88 MEN1 (0.81) PPARGAKR1B1BAG3MEN1KMT2A
SCHEMBL21783143 0.88 PPARG (1.00) PPARGAKR1B1BAG3MEN1KMT2A

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 3668/4885AKR1B1 225/4885BAG3 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.