SCHEMBL2284394

SCHEMBL2284394

Cc1cccc(C(=O)Nc2ccc3c(c2)B(O)OC3)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.73
CA2 P00918 6/20 0.73
CA12 O43570 5/20 0.73
CA9 Q16790 5/20 0.73
CA4 P22748 3/20 0.60
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59

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
SCHEMBL2281417 0.89 CA1 (0.82) CA1CA2CA12CA9CA4
SCHEMBL12317844 0.88 CA12 (0.56) CA1CA2CA12CA9PRSS1
SCHEMBL2281044 0.86 CA1 (0.78) CA1CA2CA12CA9CA4
SCHEMBL595798 0.86 CA12 (0.82) CA1CA2CA12CA9CA4
SCHEMBL2281569 0.86 CA12 (0.73) CA1CA2CA12CA9CA4
SCHEMBL2281220 0.86 CA12 (0.73) CA1CA2CA12CA9CA4
SCHEMBL2282100 0.86 CA1 (0.73) CA1CA2CA12CA9CA4
SCHEMBL12875297 0.85 CA1 (0.77) CA1CA2CA12CA9CA4
SCHEMBL2276440 0.85 CA1 (0.68) CA1CA2CA12CA9
SCHEMBL2280414 0.83 CA12 (0.68) CA1CA2CA12CA9CA4

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.