Sugi Predict

Sugi Predict / Compounds / SCHEMBL462269

SCHEMBL462269

SCHEMBL462269

Cc1ccc(C=O)c(B2OC(C)(C)C(C)(C)O2)c1OCCCOCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 3/20 0.35
▸ KCNA5 P22460 3/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL19672988 0.92 KCNA3 (0.32) KCNA3KCNA5HTR1AADRA1DADRA1A
SCHEMBL454257 0.89 KCNA3 (0.35) KCNA3KCNA5DGAT1L3MBTL1ALDH1A1
SCHEMBL462096 0.88 HTR1A (0.37) KCNA3KCNA5DGAT1HTR1AADRA1D
SCHEMBL5031337 0.85 KDM4E (0.33) ALDH1A1MAPT
SCHEMBL461296 0.83 ALDH1A1 (0.40) DGAT1L3MBTL1ALDH1A1PTGER4PTGER3
SCHEMBL3445760 0.81 ALDH1A1 (0.40) DGAT1L3MBTL1ALDH1A1PTGER4PTGER3
SCHEMBL2679545 0.78 MEN1 (0.36) KCNA3KCNA5DGAT1ALDH1A1NAAA
SCHEMBL13035642 0.78 DGAT1 (0.34) DGAT1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL5019561 0.78 SCN8A (0.39) KCNA3KCNA5HTR1AADRA1DADRA1A
SCHEMBL453400 0.78 L3MBTL1 (0.40) KCNA3KCNA5HTR1AADRA1DADRA1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 — — CN disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 — — US disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 — — US disclosed
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
EP-3251678-A1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Anacor Pharmaceuticals, Inc. (US) 2017-12-06 — — EP disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
EP-2613788-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2017-06-21 — — EP disclosed
EP-2613788-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2017-06-21 — — EP disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-8703742-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 — — EP disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 — — 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 (5 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-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885DGAT1 3696/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885DGAT1 3696/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885DGAT1 3696/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885DGAT1 3696/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885DGAT1 3696/4885

“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.