SCHEMBL1825475

SCHEMBL1825475

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
PKM P14618 1/20 0.58
CA1 P00915 10/20 0.58
CA2 P00918 10/20 0.58
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 8/20 0.55
CA9 Q16790 8/20 0.55
CA4 P22748 5/20 0.55
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL3475888 0.88 CA1 (0.67) ALDH1A1CA1CA2CA12CA9
SCHEMBL1827021 0.87 CA1 (0.54) PKMCA1CA2CA12CA9
SCHEMBL13429353 0.87 CA1 (0.60) ALDH1A1CA1CA2LMNASMN1; SMN2
SCHEMBL3473546 0.87 CA1 (0.52) CA1CA2CA12CA9CA4
SCHEMBL3474408 0.87 CA1 (0.52) GAACA1CA2LMNACA12
SCHEMBL13111190 0.85 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL3473383 0.85 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL2404366 0.85 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL594922 0.85 CA1 (0.74) CA1CA2CA12CA9CA4
SCHEMBL3474812 0.85 CA1 (0.61) CA1CA2CA12CA9CA4

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 7 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 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-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 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 (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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD HTT 4165/4885ALDH1A1 4190/4885GAA 536/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD HTT 4165/4885ALDH1A1 4190/4885GAA 536/4885
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD HTT 4165/4885ALDH1A1 4190/4885GAA 536/4885

“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.