SCHEMBL20187640

SCHEMBL20187640

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 1.00
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
INPPL1 O15357 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PABPC1 P11940 1/20 0.39
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PLCG1 P19174 1/20 0.39
TNNI3 P19429 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL20207015 0.84 PTPN11 (0.72) PTPN11TLR2TLR1TLR6
SCHEMBL20206977 0.82 PTPN11 (0.71) PTPN11TLR2TLR1TLR6
SCHEMBL20206986 0.81 PTPN11 (0.68) PTPN11TLR2TLR1TLR6
SCHEMBL20207022 0.76 PTPN11 (0.62) PTPN11KDM4EMEN1INPPL1NSD2
SCHEMBL20206967 0.76 PTPN11 (0.65) PTPN11SNCA
SCHEMBL20188951 0.74 PTPN11 (0.78) PTPN11TLR2TLR1TLR6
SCHEMBL468884 0.73 PTPN11 (0.79) PTPN11KDM4EMEN1INPPL1NSD2
SCHEMBL4346184 0.71 PTPN11 (0.53) PTPN11KDM4ENSD2ALDH1A1TP53
SCHEMBL2139 0.71 KDM4E (0.59) PTPN11KDM4ENSD2ALDH1A1TP53
SCHEMBL15557274 0.70 CDK2 (0.77) PTPN11KDM4EMEN1INPPL1NSD2

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 2700/4885KDM4E 962/4885MEN1 4537/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 PTPN11 2737/4885KDM4E 1039/4885MEN1 4645/4885

“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.