SCHEMBL20207014

SCHEMBL20207014

CC(C)NC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
FUT7 Q11130 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
XDH P47989 2/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NSD2 O96028 1/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL15631128 0.89 ERN1 (0.49) KDM4ELMNATDP1POLBGAA
SCHEMBL15631141 0.87 ACLY (0.48) KDM4ELMNATDP1POLBGAA
SCHEMBL1669129 0.86 KDM4E (0.53) KDM4ELMNATDP1POLBGAA
SCHEMBL4443226 0.84 MLYCD (0.53) LMNAALDH1A1MAPTXDHALOX5
SCHEMBL10033789 0.82 CA2 (0.53) KDM4ELMNATDP1POLBGAA
SCHEMBL31233493 0.81 KDM4E (0.48) KDM4ELMNATDP1POLBGAA
SCHEMBL13761381 0.81 CA12 (0.54) LMNATDP1POLBALDH1A1XDH
SCHEMBL15631139 0.80 HDAC6 (0.60) KDM4EPOLBGAAL3MBTL1MAPT
SCHEMBL16144981 0.80 CA2 (0.55) KDM4ELMNATDP1POLBGAA
SCHEMBL16144983 0.80 CA2 (0.55) KDM4ELMNATDP1POLBGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544952-B1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIV ANTWERPEN (BE) 2024-11-06 EP disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
WO-2018096088-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2018-05-31 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 (2 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-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS ATG4B, ATG7, ATG4A KDM4E 962/4885LMNA 3856/4885TDP1 2605/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 KDM4E 1039/4885LMNA 3483/4885TDP1 2925/4885

“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.