SCHEMBL20188951

SCHEMBL20188951

CCCCOC(=O)c1cc(O)c(=O)c2c(O)c(O)c(F)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.78
TLR2 O60603 1/20 0.67
TLR1 Q15399 1/20 0.67
TLR6 Q9Y2C9 1/20 0.67
ESR1 P03372 5/20 0.63
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
SERPINE1 P05121 1/20 0.50

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
SCHEMBL20206978 0.86 TLR2 (0.67) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL20187642 0.86 TLR2 (0.67) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL15557658 0.85 TLR2 (0.91) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL12610198 0.82 TLR2 (0.76) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL12610468 0.81 TLR2 (0.85) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL12610357 0.81 TLR2 (0.85) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL15560260 0.81 TLR2 (1.00) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL15556974 0.81 TLR2 (1.00) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL17069805 0.81 TLR2 (1.00) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL15559764 0.81 TLR2 (1.00) PTPN11TLR2TLR1TLR6ESR1

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 7 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

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.