SCHEMBL20534277

SCHEMBL20534277

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
HPGD P15428 1/20 0.76
PPARG P37231 5/20 0.74
BAG3 O95817 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 3/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
AKR1B1 P15121 1/20 0.63

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
SCHEMBL20534278 1.00 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AHPGDPPARG
SCHEMBL20534490 0.87 AKR1B1 (0.79) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL20534489 0.87 AKR1B1 (0.79) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL21783143 0.85 PPARG (1.00) ALDH1A1MEN1KMT2AHPGDPPARG
SCHEMBL22092306 0.85 PPARG (1.00) ALDH1A1MEN1KMT2AHPGDPPARG
SCHEMBL15828847 0.83 NPSR1 (0.67) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL21783145 0.83 PPARG (1.00) ALDH1A1MEN1KMT2AHPGDPPARG
SCHEMBL21783161 0.83 AKR1B1 (0.78) ALDH1A1MEN1KMT2AHPGDPPARG
SCHEMBL21783153 0.82 PPARG (0.84) ALDH1A1MEN1KMT2APPARGBAG3
SCHEMBL21783131 0.82 BAG3 (0.72) ALDH1A1MEN1KMT2AHPGDPPARG

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 ALDH1A1 461/4885MEN1 1902/4885KMT2A 108/4885

“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.