SCHEMBL10053153

SCHEMBL10053153

CCCc1ccc(B2OCc3cc(F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PDE3A Q14432 1/20 0.47
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL10053163 0.92 CA1 (0.44) CA1CA2PDE3ALPLLIPG
SCHEMBL10053161 0.89 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL14342327 0.86 CA1 (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053166 0.86 TAAR1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL14364458 0.86 TAAR1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10053182 0.85 CA1 (0.61) CA1CA2PDE3ALPLLIPG
SCHEMBL500198 0.84 CA1 (0.59) CA1CA2PDE3ALPLLIPG
SCHEMBL12589681 0.83 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL12589684 0.83 CA1 (0.53) CA1CA2PDE3APDE4APDE4B
SCHEMBL14360667 0.83 CA1 (0.43) 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
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

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.