SCHEMBL2278233

SCHEMBL2278233

O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1OC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.59
CA1 P00915 9/20 0.59
CA2 P00918 9/20 0.59
CA9 Q16790 9/20 0.59
KCNK3 O14649 3/20 0.55
KCNK9 Q9NPC2 3/20 0.55
CA4 P22748 4/20 0.54

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
SCHEMBL2281164 0.86 CA1 (0.64) CA12CA1CA2CA9KCNK3
SCHEMBL1164588 0.84 CA12 (0.62) CA12CA1CA2CA9CA4
SCHEMBL2276230 0.83 CA12 (0.59) CA12CA1CA2CA9KCNK3
SCHEMBL2281446 0.82 CA1 (0.67) CA12CA1CA2CA9CA4
SCHEMBL2280974 0.81 CA1 (0.68) CA12CA1CA2CA9CA4
SCHEMBL2286361 0.80 CA12 (0.64) CA12CA1CA2CA9CA4
SCHEMBL2284057 0.80 CA1 (0.67) CA12CA1CA2CA9CA4
SCHEMBL2280627 0.80 CA1 (0.67) CA12CA1CA2CA9CA4
SCHEMBL2281737 0.80 CA1 (0.67) CA12CA1CA2CA9CA4
SCHEMBL2310736 0.79 KCNK3 (0.55) KCNK3KCNK9

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 7 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 claimed
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 CA12 945/4885CA1 1800/4885CA2 194/4885

“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.