SCHEMBL1823677

SCHEMBL1823677

O=S(=O)(Nc1ccc2c(c1)B(O)OC2)c1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP6 P55212 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA12 O43570 6/20 0.45
CA9 Q16790 6/20 0.45
CA4 P22748 5/20 0.45
ACLY P53396 1/20 0.44

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
SCHEMBL2191142 0.82 KMT2A (0.55) MAPK1MEN1KMT2AALDH1A1CA1
SCHEMBL13428534 0.81 CA1 (0.64) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL2191754 0.81 PKM (0.52) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL13111505 0.79 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL2192690 0.79 POLB (0.54) MEN1KMT2ACA1CA2CA12
SCHEMBL3473383 0.79 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL13111190 0.79 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL13111193 0.78 CA1 (0.48) CA1CA2CA12CA9CA4
SCHEMBL3422237 0.78 GFER (0.53) MEN1KMT2ACA1CA2CA12
SCHEMBL13429301 0.78 CA1 (0.52) ALDH1A1CA1CA2CA12CA9

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD MAPK1 2478/4885MEN1 818/4885KMT2A 1841/4885

“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.