SCHEMBL13035573

SCHEMBL13035573

CC1(C)OCC(COc2cccc(C=O)c2B2OC(C)(C)C(C)(C)O2)CO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 3/20 0.33
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3445782 0.85 APP (0.34) APPALDH1A1HPGDTLR2ERN1
SCHEMBL15077475 0.82 MAPK14 (0.35) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL27969814 0.81 ALDH1A1 (0.51) APPALDH1A1HPGDTLR2ERN1
SCHEMBL3445997 0.80 ALDH1A1 (0.39) ALDH1A1HPGDTLR2ERN1TLR1
SCHEMBL3446578 0.80 APP (0.40) APPALDH1A1HPGDTLR2ERN1
SCHEMBL13123299 0.79 ALDH1A1 (0.38) ALDH1A1HPGDTLR2ERN1TLR1
SCHEMBL13035551 0.78 ALDH1A1 (0.37) ALDH1A1HPGDTLR2ERN1TLR1
SCHEMBL15077378 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTLR2ERN1TLR1
SCHEMBL5019553 0.77 ALDH1A1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13035430 0.76 ALDH1A1 (0.36) ALDH1A1HPGDTLR2ERN1TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP disclosed
US-9796735-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
WO-2008157726-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2008-12-24 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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD APP 2322/4885ALDH1A1 4409/4885HPGD 4390/4885
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 APP 4070/4885ALDH1A1 4676/4885HPGD 4048/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 APP 4070/4885ALDH1A1 4676/4885HPGD 4048/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 APP 3559/4885ALDH1A1 646/4885HPGD 1004/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 APP 4070/4885ALDH1A1 4676/4885HPGD 4048/4885

“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.