SCHEMBL2283397

SCHEMBL2283397

COc1ccc2c(CC(=O)Nc3ccc4c(c3)B(O)OC4)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.61
CA2 P00918 10/20 0.61
CA12 O43570 9/20 0.61
CA9 Q16790 9/20 0.61
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
CA4 P22748 4/20 0.53
LCK P06239 1/20 0.53
CYP2D6 P10635 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.48

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
SCHEMBL2279097 0.80 CA1 (0.67) CA1CA2CA12CA9CA4
SCHEMBL10061969 0.76 CA12 (0.68) CA1CA2CA12CA9KDM4E
SCHEMBL12875771 0.74 CA1 (0.78) CA1CA2CA12CA9CA4
SCHEMBL15148345 0.73 CA1 (0.82) CA1CA2CA12CA9CA4
SCHEMBL2286194 0.72 CA1 (0.73) CA1CA2CA12CA9CA4
SCHEMBL12875478 0.71 CA1 (0.72) CA1CA2CA12CA9CA4
SCHEMBL5272977 0.71 KDM4E (0.76) CA1CA2CA12CA9KDM4E
SCHEMBL12221062 0.71 KDM4E (0.80) CA1CA2CA12CA9KDM4E
SCHEMBL29397959 0.71 KDM4E (1.00) CA1CA2CA12CA9KDM4E
SCHEMBL246218 0.71 KDM4E (1.00) CA1CA2CA12CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO 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-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 CA1 1800/4885CA2 194/4885CA12 945/4885

“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.