SCHEMBL20206975

SCHEMBL20206975

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42

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
SCHEMBL20206970 0.93 TLR2 (0.45) PTPN11TLR2TLR1TLR6
SCHEMBL20206969 0.90 PTPN11 (0.46) PTPN11TLR2TLR1TLR6
SCHEMBL20206972 0.84 KDM4E (0.47) PTPN11KDM4EGAA
SCHEMBL20206971 0.81 HPGD (0.49) L3MBTL1
SCHEMBL20207003 0.80 PTPN11 (0.49) PTPN11TLR2TLR1TLR6
SCHEMBL20206974 0.78 TLR2 (0.45) PTPN11TLR2TLR1TLR6
SCHEMBL20191154 0.78 PTPN11 (0.71) PTPN11L3MBTL1KDM4EGAATLR2
SCHEMBL20188864 0.78 TLR2 (0.60) PTPN11TLR2TLR1TLR6
SCHEMBL20189050 0.77 PTPN11 (0.73) PTPN11GAATLR2TLR1TLR6
SCHEMBL20187628 0.77 PTPN11 (0.68) PTPN11KDM4E

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 2700/4885L3MBTL1 1773/4885KDM4E 962/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 PTPN11 2737/4885L3MBTL1 2480/4885KDM4E 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.