SCHEMBL2278288

SCHEMBL2278288

OB1OCc2ccc(Sc3ccc(Cl)cc3Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
CA4 P22748 3/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CA7 P43166 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL2281088 0.90 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL2280789 0.85 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL595822 0.85 CA1 (0.56) CA1CA2CA9CA12CA4
SCHEMBL2279713 0.81 CA1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL2282891 0.81 CA1 (0.50) CA1CA2CA9CA12CA4
SCHEMBL2287109 0.81 CA1 (0.44) CA1CA2CA9CA12CA4
SCHEMBL13183439 0.80 CA1 (0.62) CA1CA2CA9CA12CA4
SCHEMBL2286116 0.78 CA1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL5528362 0.75 CA1 (0.54) CA1CA2CA9CA12CA4
SCHEMBL596081 0.75 CA1 (0.54) CA1CA2CA9CA12CA4

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 8 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-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
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-2010045505-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 194/4885CA9 990/4885

“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.