SCHEMBL2177886

SCHEMBL2177886

COc1nc(N(C(=O)OC(C)(C)C)c2ccc(Br)c(COC(C)=O)c2)ccc1C#N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL2176988 0.89 AAK1 (0.33) GAA
SCHEMBL2178837 0.85 GAA (0.35) GAA
SCHEMBL2181102 0.84 PDE4A (0.32)
SCHEMBL2180329 0.80 CHRNB2 (0.34)
SCHEMBL2177080 0.72 PDE4B (0.44)
SCHEMBL2178410 0.67 CHRNB2 (0.37)
SCHEMBL2181168 0.66 CHRNB2 (0.39)
SCHEMBL22980358 0.64 SSTR4 (0.37)
SCHEMBL1232549 0.64 ALDH1A1 (0.38)
SCHEMBL18179676 0.64 AAK1 (0.38) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2013-10-31 US disclosed
US-8470803-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2348863-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-20110166103-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010027975-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 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 (2 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-20110166103-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF GAA 387/4885
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF GAA 387/4885

“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.