SCHEMBL12475273

SCHEMBL12475273

NC[C@@H]1OB(O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 2/20 0.56
KLK5 Q9Y337 2/20 0.56
KLK8 O60259 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL12475533 1.00 KLK1 (0.56) KLK1KLK5KLK8F2PLAU
SCHEMBL1135209 1.00 KLK1 (0.56) KLK1KLK5KLK8F2PLAU
Hydrochloric Acid SCHEMBL3446642 0.98 KLK1 (0.58) KLK1KLK5KLK8F2PLAU
SCHEMBL3640557 0.84 KLK1 (0.50) KLK1KLK5KLK8F2PLAU
SCHEMBL14472924 0.83 KLK1 (0.51) KLK1KLK5KLK8F2PLAU
SCHEMBL16577171 0.83 KLK1 (0.51) KLK1KLK5KLK8F2PLAU
SCHEMBL16256483 0.83 KLK1 (0.51) KLK1KLK5KLK8F2PLAU
SCHEMBL16577173 0.83 KLK1 (0.51) KLK1KLK5KLK8F2PLAU
SCHEMBL10269461 0.81 KLK1 (0.50) KLK1KLK5KLK8F2PLAU
SCHEMBL595360 0.80 KLK5 (0.68) KLK1KLK5KLK8F2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889146-B2 Benzoxaborole compounds and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
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-20170071961-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2017-03-16 US disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP 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-20150080342-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2015-03-19 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
WO-2013154759-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2013-10-17 WO disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 WO 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 (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-20170071961-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF NSUN3, BCAT2, FARSB KLK1 4570/4885KLK5 4319/4885KLK8 4403/4885
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 KLK1 2138/4885KLK5 2673/4885KLK8 2694/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 KLK1 2138/4885KLK5 2673/4885KLK8 2694/4885
US-20150080342-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF NSUN3, BCAT2, FARSB KLK1 4570/4885KLK5 4319/4885KLK8 4403/4885
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 KLK1 925/4885KLK5 2164/4885KLK8 2376/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 KLK1 2138/4885KLK5 2673/4885KLK8 2694/4885

“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.