SCHEMBL20534465

SCHEMBL20534465

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
POLB P06746 1/20 0.81
DUSP3 P51452 1/20 0.81
PTPN5 P54829 1/20 0.81
PTPN11 Q06124 1/20 0.81
CTDSP1 Q9GZU7 1/20 0.81
PPARG P37231 6/20 0.80
BAG3 O95817 1/20 0.70
SLC1A3 P43003 5/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PTPN7 P35236 1/20 0.65
AKR1B1 P15121 2/20 0.62
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
ITGB2 P05107 1/20 0.61
ITGAM P11215 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
SCHEMBL20534466 1.00 MEN1 (0.81) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783145 0.89 PPARG (1.00) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783127 0.89 PPARG (0.81) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL28374629 0.89 PPARG (0.81) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783153 0.88 PPARG (0.84) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783142 0.87 PPARG (0.82) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783171 0.87 PPARG (0.82) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783164 0.87 PPARG (1.00) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL21783184 0.86 PPARG (0.83) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL22092306 0.86 PPARG (1.00) MEN1KMT2APOLBDUSP3PTPN5

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 4 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
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
EP-3609494-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY La Trobe University (AU) 2020-02-19 EP disclosed
WO-2018187845-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2018-10-18 WO 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 MEN1 1902/4885KMT2A 108/4885POLB 1365/4885

“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.