SCHEMBL21783136

SCHEMBL21783136

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.78
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
ALDH1A1 P00352 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MAPT P10636 2/20 0.78
NPC1 O15118 1/20 0.78
THRB P10828 1/20 0.78
MAPK1 P28482 1/20 0.78
HTT P42858 1/20 0.78
RECQL P46063 1/20 0.78
RAB9A P51151 1/20 0.78
BLM P54132 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
BAG3 O95817 1/20 0.69
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
POLB P06746 1/20 0.61
DUSP3 P51452 1/20 0.61
PTPN5 P54829 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
SCHEMBL21783145 0.88 PPARG (1.00) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783153 0.87 PPARG (0.84) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783171 0.86 PPARG (0.82) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783164 0.86 PPARG (1.00) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783142 0.86 PPARG (0.82) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28374629 0.85 PPARG (0.81) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21783127 0.85 PPARG (0.81) PPARGMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20534604 0.85 AKR1B1 (0.72) MAOAMAOBAKR1B1
SCHEMBL20534603 0.85 AKR1B1 (0.72) MAOAMAOBAKR1B1
SCHEMBL20534466 0.85 MEN1 (0.81) PPARGMEN1KMT2AALDH1A1SMN1; SMN2

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 3668/4885MEN1 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.