SCHEMBL10053142

SCHEMBL10053142

COc1ccc(B2OCc3cc(F)ccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM1A O60341 2/20 0.34
SLC6A2 P23975 9/20 0.33
SLC6A4 P31645 9/20 0.33
SLC6A3 Q01959 8/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL10053167 0.91 CA1 (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053270 0.88 CA1 (0.44) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053165 0.83 CA1 (0.50) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053159 0.82 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053182 0.81 CA1 (0.61) CA1CA2PDE3APDE4APDE4B
SCHEMBL500198 0.80 CA1 (0.59) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053143 0.80 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053148 0.79 CA1 (0.46) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053155 0.79 CA1 (0.46) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053279 0.78 CA1 (0.50) 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 4 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-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.