SCHEMBL10053182

SCHEMBL10053182

Fc1ccc2c(c1)COB2c1ccc(B2OCc3cc(F)ccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
PDE3A Q14432 2/20 0.61
PDE4A P27815 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE1A P54750 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE7A Q13946 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL500198 0.98 CA1 (0.59) CA1CA2PDE3APDE4APDE4B
SCHEMBL500871 0.92 CA1 (0.53) CA1CA2PDE3APDE4APDE4B
SCHEMBL500219 0.91 CA1 (0.56) CA1CA2PDE3APDE4APDE4B
SCHEMBL596933 0.89 PDE3A (0.50) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053147 0.88 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053159 0.88 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL12589681 0.88 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053161 0.88 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL12589684 0.88 CA1 (0.53) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053281 0.87 CA1 (0.51) 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.