SCHEMBL21783156

SCHEMBL21783156

CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.79
▸ MAPT P10636 4/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ NCOA3 Q9Y6Q9 1/20 0.67
▸ MAPK1 P28482 1/20 0.66
▸ KMT2A Q03164 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ APP P05067 1/20 0.61
▸ MCHR1 Q99705 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
SCHEMBL22092306 0.88 PPARG (1.00) PPARGALDH1A1MAPK1KMT2APOLB
SCHEMBL21783143 0.88 PPARG (1.00) PPARGALDH1A1MAPK1KMT2APOLB
SCHEMBL10492269 0.87 NPSR1 (0.73) PPARGKMT2AMEN1APP
SCHEMBL10492261 0.87 NPSR1 (0.73) PPARGKMT2AMEN1APP
SCHEMBL10492239 0.87 MAPT (0.79) MAPTALDH1A1NCOA3MAPK1
SCHEMBL10492233 0.87 MAPT (0.79) MAPTALDH1A1NCOA3MAPK1
SCHEMBL20534340 0.87 MAPT (0.79) MAPTALDH1A1NCOA3MAPK1
SCHEMBL14407429 0.84 MAPT (0.70) MAPTALDH1A1NCOA3MAPK1MCHR1
SCHEMBL12793841 0.84 MAPT (0.77) MAPTALDH1A1NCOA3MAPK1KMT2A
SCHEMBL5746953 0.83 PPARG (0.73) PPARGALDH1A1KMT2APOLBMEN1

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 3668/4885MAPT 3729/4885ALDH1A1 461/4885

“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.

Send feedback