SCHEMBL21783129

SCHEMBL21783129

CCOC(=O)CN1C(=O)S/C(=C\c2ccncc2)C1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.78
BAG3 O95817 1/20 0.68
CISD1 Q9NZ45 2/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
AKR1B1 P15121 2/20 0.60
MGAM O43451 1/20 0.60
AMY1A P0DUB6 1/20 0.60
GAA P10253 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
MAPT P10636 2/20 0.60
USP2 O75604 1/20 0.60

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
SCHEMBL28374956 1.00 PPARG (0.78) PPARGBAG3CISD1MEN1KMT2A
SCHEMBL21783145 0.88 PPARG (1.00) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783127 0.88 PPARG (0.81) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL28374629 0.88 PPARG (0.81) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783153 0.86 PPARG (0.84) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783155 0.86 MAPT (0.73) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL28373919 0.86 MAPT (0.73) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783164 0.85 PPARG (1.00) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783142 0.85 PPARG (0.82) PPARGBAG3MEN1KMT2AALDH1A1
SCHEMBL21783171 0.85 PPARG (0.82) PPARGBAG3MEN1KMT2AALDH1A1

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 1 patent. 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

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 3668/4885BAG3 4493/4885CISD1 1458/4885

“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.