SCHEMBL2178893

SCHEMBL2178893

CC(=O)OCc1cc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.34
USP30 Q70CQ3 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL2177649 0.84 KMT2A (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2181102 0.82 PDE4A (0.32)
SCHEMBL1232020 0.81 CYP3A4 (0.35) ABCB1
SCHEMBL2180329 0.81 CHRNB2 (0.34) ABCB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16586412 0.78 MAPT (0.36)
SCHEMBL20568239 0.78 PDE4B (0.43)
SCHEMBL1233222 0.75 CYP3A4 (0.35) ABCB1
SCHEMBL12484843 0.71 PDE4B (0.53)
SCHEMBL2178410 0.70 CHRNB2 (0.37) ABCB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19513344 0.69 CXCR2 (0.45)

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 ABCB1 390/4885USP30 2916/4885CHRNB2 3527/4885
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF ABCB1 390/4885USP30 2916/4885CHRNB2 3527/4885

“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.