SCHEMBL500341

SCHEMBL500341

Fc1cccc(B2OCc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
PDE3A Q14432 1/20 0.39
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31

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
SCHEMBL10053189 0.87 CA1 (0.42) CA1CA2PDE3AIDO1CA12
SCHEMBL500789 0.87 CA1 (0.54) CA1CA2PDE3AHTR7IDO1
SCHEMBL10053186 0.84 CA1 (0.46) CA1CA2PDE3AHTR7ALDH1A1
SCHEMBL594859 0.82 CA1 (0.42) CA1CA2PDE3AHTR7ALDH1A1
SCHEMBL500335 0.81 CA1 (0.47) CA1CA2PDE3ACA12CA9
SCHEMBL500078 0.81 CA1 (0.53) CA1CA2CA12CA9
SCHEMBL500424 0.81 CA1 (0.43) CA1CA2HTR7SMN1; SMN2CA12
SCHEMBL10053280 0.81 CA1 (0.43) CA1CA2HTR7ALDH1A1HPGD
SCHEMBL14001035 0.81 CA1 (0.43) CA1CA2CA12CA9
SCHEMBL500219 0.79 CA1 (0.56) CA1CA2PDE3ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-2015757-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2009-01-21 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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 (2 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-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CA1 3204/4885CA2 1752/4885PDE3A 441/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CA1 838/4885CA2 535/4885PDE3A 3530/4885

“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.