SCHEMBL23388729

SCHEMBL23388729

Nc1ccc(Oc2c(Cl)cc(B(O)O)cc2Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ THRB P10828 8/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ TTR P02766 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL23422712 0.90 MEN1 (0.33) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL30838571 0.84 CYP3A4 (0.37) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23407747 0.78 THRB (0.37) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23391539 0.78 CYP3A4 (0.41) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL3190381 0.77 TTR (0.55) CYP3A4TSHRALDH1A1MAPK1THRB
SCHEMBL273483 0.76 NR4A1 (0.61) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL6912094 0.71 THRA (0.45) TSHRTHRBTHRA
SCHEMBL5385598 0.70 THRB (0.49) ALDH1A1THRBTHRA
SCHEMBL7192417 0.70 MAOA (0.59) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23391600 0.69 CA1 (0.40) CYP3A4TSHRNR4A1ALDH1A1MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195505-B Inhibitors of metallo-beta-lactamase produced by multi-drug resistant bacteria and methods of making the same 明知大学校产学协力团 2024-04-05 — — CN disclosed
EP-4063373-A1 NOVEL METALLO-BETA-LACTAMASE INHIBITOR CREATED IN MULTI-DRUG RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR Myongji University Industry and Academia Cooperation Foundation (KR) 2022-09-28 — — EP disclosed
US-11395829-B2 Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2022-07-26 — — US disclosed
US-11395829-B2 Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2022-07-26 — — US disclosed
CN-113195505-A Inhibitors of metallo-beta-lactamase produced by multi-drug resistant bacteria and methods of preparing the same 明知大学校产学协力团 2021-07-30 — — CN disclosed
CN-113195505-A Inhibitors of metallo-beta-lactamase produced by multi-drug resistant bacteria and methods of preparing the same 明知大学校产学协力团 2021-07-30 — — CN disclosed
US-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-05-27 — — US disclosed
US-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-05-27 — — US disclosed
WO-2021101030-A1 NOVEL METALLO-BETA-LACTAMASE INHIBITOR CREATED IN MULTI-DRUG RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR 명지대학교 산학협력단 2021-05-27 — — 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-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MANBA, MGAM, GUSB CYP3A4 513/4885TSHR 4181/4885NR4A1 2515/4885
US-11395829-B2 Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria MANBA, MGAM, GUSB CYP3A4 513/4885TSHR 4181/4885NR4A1 2515/4885

“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.

Send feedback