SCHEMBL596933

SCHEMBL596933

N#Cc1ccc(B2OCc3cc(F)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PDE4B Q07343 8/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
PDE1A P54750 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE7A Q13946 1/20 0.46
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MIF P14174 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
FPR1 P21462 4/20 0.32

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
SCHEMBL10053182 0.89 CA1 (0.61) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL500198 0.88 CA1 (0.59) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL595765 0.85 PDE3A (0.47) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL500871 0.82 CA1 (0.53) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL500219 0.81 CA1 (0.56) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL595895 0.78 CA2 (0.44) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL12589681 0.78 CA1 (0.49) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL10053159 0.78 CA1 (0.49) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL10053147 0.78 CA1 (0.49) PDE3ACA1CA2PDE4BPDE4A
SCHEMBL12589684 0.78 CA1 (0.53) PDE3ACA1CA2PDE4BPDE4A

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 39 patents — showing the first 20. 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-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-08-11 US disclosed
US-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 US disclosed
US-9353133-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-7465836-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465836-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
EP-1638578-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2006-03-29 EP disclosed
WO-2005013892-A9 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2005-04-14 WO disclosed
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, LLC 2005-03-10 US disclosed
WO-2005013892-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2005-02-17 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 (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-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PDE3A 441/4885CA1 3204/4885CA2 1752/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE3A 4505/4885CA1 4091/4885CA2 1368/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 PDE3A 2884/4885CA1 897/4885CA2 491/4885

“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.