SCHEMBL10269072

SCHEMBL10269072

COc1cc(OC)c2c(c1)B(O)OC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
FPR2 P25090 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 2/20 0.35

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
SCHEMBL16101207 0.83 CYP3A4 (0.41) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18269858 0.83 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL16101584 0.80 KLK5 (0.43)
SCHEMBL18269861 0.77 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL17311327 0.75 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL1135194 0.71 CA1 (0.64) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL5583429 0.68 PDE4B (0.82) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL500087 0.68 PDE4B (0.82) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL2532328 0.67 PDE4B (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL5583340 0.67 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-03-09 US disclosed
US-9572823-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9566290-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20130210770-A1 PHARMACEUTICAL FORMULATIONS ANACOR PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-20130064783-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US disclosed
US-8115026-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US 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 (8 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-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20130210770-A1 PHARMACEUTICAL FORMULATIONS DPM1, POLR1C, ETF1 PDE4A 2779/4885PDE4B 3014/4885PDE4C 2762/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20130059803-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20130064783-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885

“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.