SCHEMBL454257

SCHEMBL454257

CC1(C)OB(c2c(C=O)ccc(F)c2OCCCOCc2ccccc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.35
KCNA5 P22460 2/20 0.35
DGAT1 O75907 1/20 0.34
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AR P10275 1/20 0.32
NAAA Q02083 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL462269 0.89 KCNA3 (0.35) KCNA3KCNA5DGAT1MEN1MAPT
SCHEMBL462096 0.87 HTR1A (0.37) KCNA3KCNA5DGAT1ERN1TDP1
SCHEMBL461296 0.82 ALDH1A1 (0.40) DGAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL19672988 0.82 KCNA3 (0.32) KCNA3KCNA5MEN1MAPTKMT2A
SCHEMBL2679584 0.82 AR (0.35) KCNA3KCNA5DGAT1MEN1MAPT
SCHEMBL3445760 0.80 ALDH1A1 (0.40) DGAT1MEN1MAPTKMT2AALDH1A1
SCHEMBL2679545 0.80 MEN1 (0.36) KCNA3KCNA5DGAT1MEN1KMT2A
SCHEMBL462215 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20607683 0.77 ERN1 (0.42) DGAT1MAPTKMT2AERN1ALDH1A1
SCHEMBL452893 0.77 ERN1 (0.41) KCNA3KCNA5ERN1AR

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 20 patents. 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
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-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
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
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-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
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.