SCHEMBL13073689

SCHEMBL13073689

CCCCOCOc1cccc2c1B(O)OC2C[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.32
LARS1 Q9P2J5 3/20 0.32
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL13073748 0.93 TP53 (0.33) LARS1TP53GAATSHRHTT
SCHEMBL13074078 0.93 TP53 (0.33) LARS1TP53GAATSHRHTT
SCHEMBL13073614 0.93 TP53 (0.33) LARS1TP53GAATSHRHTT
SCHEMBL16706966 0.93 TP53 (0.35) LARS1TP53GAATSHRHTT
SCHEMBL5019552 0.93 TP53 (0.35) LARS1TP53GAATSHRHTT
SCHEMBL16706967 0.93 TP53 (0.35) LARS1TP53GAATSHRHTT
SCHEMBL15075004 0.92 ALDH1A1 (0.37) TP53GAATSHRHTT
SCHEMBL5019545 0.89 LMNA (0.36) LARS1
SCHEMBL15078746 0.88
SCHEMBL15078771 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 PLA2G4B 3638/4885LARS1 1577/4885TLR4 77/4885
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 PLA2G4B 987/4885LARS1 4358/4885TLR4 15/4885

“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.