SCHEMBL13035533

SCHEMBL13035533

CC(C)(C)OC(=O)NCOc1cccc2c1B(O)OC2C[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.35
EPHX2 P34913 1/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
ADRA2A P08913 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
P2RY6 Q15077 1/20 0.30
DRD2 P14416 1/20 0.30
SCN9A Q15858 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
SCHEMBL3445974 0.90 CA1 (0.42) CA12CA1CA2CA9DRD2
SCHEMBL462173 0.89 CA12 (0.43) CA12CA1CA2CA9DRD2
SCHEMBL13035544 0.87 LARS1 (0.39) RPS6KA1
SCHEMBL13035538 0.87 MEN1 (0.32)
SCHEMBL13035561 0.87 RPS6KA1 (0.39) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL13035567 0.83 IDO1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL13035541 0.82 RPS6KA1 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL460571 0.80 LARS1 (0.44) MAPT
SCHEMBL13035570 0.80 LARS1 (0.30)
SCHEMBL15077429 0.80 LARS1 (0.33)

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-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US 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 (3 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 RPS6KA1 2442/4885EPHX2 4401/4885MAPT 1796/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 RPS6KA1 2442/4885EPHX2 4401/4885MAPT 1796/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 RPS6KA1 1308/4885EPHX2 1700/4885MAPT 4474/4885

“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.