SCHEMBL20189050

SCHEMBL20189050

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.73
TLR2 O60603 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
BCL2L1 Q07817 1/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR1 P03372 1/20 0.45

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
SCHEMBL20188864 0.90 TLR2 (0.60) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL20206978 0.88 TLR2 (0.67) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL20191154 0.85 PTPN11 (0.71) PTPN11TLR2TLR1TLR6BCL2L1
SCHEMBL20207000 0.84 PTPN11 (0.73) PTPN11TLR2TLR1TLR6BCL2L1
SCHEMBL15557653 0.83 PTPN11 (0.76) PTPN11TLR2TLR1TLR6BCL2L1
SCHEMBL20206969 0.79 PTPN11 (0.46) PTPN11TLR2TLR1TLR6
SCHEMBL20187628 0.79 PTPN11 (0.68) PTPN11BCL2L1MAPTCA12CA1
SCHEMBL16742163 0.78 PTPN11 (0.65) PTPN11BCL2L1CA12CA1CA2
SCHEMBL20206986 0.77 PTPN11 (0.68) PTPN11TLR2TLR1TLR6
SCHEMBL20206975 0.77 PTPN11 (0.44) PTPN11TLR2TLR1TLR6GAA

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 2700/4885TLR2 4347/4885TLR1 4091/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 PTPN11 2737/4885TLR2 4242/4885TLR1 4090/4885

“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.