SCHEMBL21783138

SCHEMBL21783138

COc1ccc(CC2SC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.67
PPARG P37231 5/20 0.64
GAA P10253 1/20 0.51
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HSD17B3 P37058 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL5796548 0.83 MCL1 (0.53) MCL1PPARGGAAL3MBTL1ALDH1A1
Hydroxyamine SCHEMBL5793019 0.82 MCL1 (0.51) MCL1PPARGGAAL3MBTL1ALDH1A1
SCHEMBL5744163 0.80 MCL1 (0.52) MCL1PPARGGAACA9L3MBTL1
SCHEMBL5745194 0.79 MCL1 (0.50) MCL1PPARGGAAHSD17B3KMT2A
SCHEMBL5798276 0.79 MCL1 (0.50) MCL1PPARGGAACA9L3MBTL1
SCHEMBL6882621 0.78 HSD17B3 (0.50) MCL1PPARGGAAHSD17B3ALDH1A1
SCHEMBL12997375 0.78 MCL1 (0.61) MCL1PPARGGAAL3MBTL1POLB
SCHEMBL6074714 0.76 MCL1 (0.52) MCL1PPARGL3MBTL1POLBMEN1
SCHEMBL5745589 0.76 MCL1 (0.47) MCL1PPARGGAAL3MBTL1HSD17B3
SCHEMBL6887925 0.75 MCL1 (0.46) MCL1PPARGGAACA9L3MBTL1

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 MCL1 2711/4885PPARG 3668/4885GAA 337/4885

“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.