SCHEMBL3446606

SCHEMBL3446606

COc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
SRC P12931 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19519468 0.87 TLR2 (0.37) ERN1TLR2TLR1TLR6SRC
SCHEMBL19777995 0.87 ERN1 (0.41) ERN1TLR2TLR1TLR6SRC
SCHEMBL15077376 0.85 MEN1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL24558439 0.85 SIRT1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13035551 0.85 ALDH1A1 (0.37) ERN1TLR2TLR1TLR6SRC
SCHEMBL3445997 0.84 ALDH1A1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL28915005 0.84 CA1 (0.41) ALDH1A1LMNACA1CA2HPGD
SCHEMBL13123299 0.83 ALDH1A1 (0.38) ERN1TLR2TLR1TLR6SRC
SCHEMBL3445836 0.83 ALDH1A1 (0.42) ERN1TLR2TLR1TLR6SRC
SCHEMBL15077420 0.82 ALDH1A1 (0.34) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 US disclosed
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 US disclosed
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 EP disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 US disclosed
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
US-9850248-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2017-12-26 US disclosed
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP 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-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-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
EP-2164331-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2010-03-24 EP 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
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
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 (6 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT ERN1 3571/4885TLR2 1641/4885TLR1 1829/4885
US-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT ERN1 3698/4885TLR2 1606/4885TLR1 1759/4885
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 ERN1 2353/4885TLR2 76/4885TLR1 26/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT ERN1 3571/4885TLR2 1641/4885TLR1 1829/4885
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 ERN1 3587/4885TLR2 11/4885TLR1 2/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 ERN1 2353/4885TLR2 76/4885TLR1 26/4885

“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.