SCHEMBL10053145

SCHEMBL10053145

O=C(O)c1cccc(B2OCc3cc(F)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
PDE3A Q14432 1/20 0.48
CA9 Q16790 3/20 0.42
CA4 P22748 2/20 0.42
CA12 O43570 2/20 0.42
AKR1C3 P42330 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
MAP2K4 P45985 1/20 0.38
CA7 P43166 1/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NR4A2 P43354 2/20 0.36
KMO O15229 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL500789 0.86 CA1 (0.54) CA1CA2PDE3ACA9CA12
SCHEMBL500219 0.82 CA1 (0.56) CA1CA2PDE3ACA9CA12
SCHEMBL500064 0.79 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL500011 0.79 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL597009 0.78 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053182 0.77 CA1 (0.61) CA1CA2PDE3ACA9CA12
SCHEMBL595765 0.76 PDE3A (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053160 0.76 CA1 (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL594859 0.76 CA1 (0.42) CA1CA2PDE3APDE4APDE4B
SCHEMBL500067 0.76 CA1 (0.49) CA1CA2PDE3APDE4APDE4B

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 5 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.