SCHEMBL20187628

SCHEMBL20187628

O=C(O)c1cc(O)c(=O)c2c(O)c(O)c(Br)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.68
TTR P02766 1/20 0.52
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CA3 P07451 1/20 0.46
MAPT P10636 1/20 0.46
SELL P14151 1/20 0.46
HPGD P15428 1/20 0.46
SELP P16109 1/20 0.46
FUT4 P22083 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
DPP4 P27487 1/20 0.46
MAPK1 P28482 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL20206986 0.86 PTPN11 (0.68) PTPN11
SCHEMBL468884 0.85 PTPN11 (0.79) PTPN11KDM4ECA12ALDH1A1CA1
SCHEMBL20191154 0.82 PTPN11 (0.71) PTPN11KDM4EALDH1A1LMNAMAPT
SCHEMBL12610191 0.81 PTPN11 (0.68) PTPN11KDM4ECA12ALDH1A1CA1
SCHEMBL20189050 0.79 PTPN11 (0.73) PTPN11CA12CA1CA2MAPT
SCHEMBL20207003 0.79 PTPN11 (0.49) PTPN11
SCHEMBL20206969 0.79 PTPN11 (0.46) PTPN11
SCHEMBL12610000 0.77 PTPN11 (0.77) PTPN11CA12CA1CA2CA3
SCHEMBL20206964 0.77 PTPN11 (0.40) PTPN11KDM4EALDH1A1CA1CA2
7-Deshydroxypyrogallin-4-Carboxylic Acid SCHEMBL12609998 0.77 PTPN11 (0.73) PTPN11KDM4ECA12ALDH1A1CA1

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 8 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
EP-3544952-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS Universiteit Antwerpen (BE) 2019-10-02 EP 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
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 PTPN11 2700/4885TTR 4758/4885KDM4E 962/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 PTPN11 2737/4885TTR 4774/4885KDM4E 1039/4885

“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.