SCHEMBL2409586

SCHEMBL2409586

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 6/20 0.56
USP2 O75604 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 3/20 0.51
PKM P14618 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 2/20 0.50

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
SCHEMBL1824395 0.91 MAPT (0.55) LMNAHTTSMN1; SMN2ALDH1A1USP2
SCHEMBL1844353 0.90 LMNA (0.54) LMNAHTTSMN1; SMN2ALDH1A1USP2
SCHEMBL1823952 0.90 LMNA (0.54) LMNAHTTSMN1; SMN2ALDH1A1USP2
SCHEMBL2404339 0.86 CA1 (0.63) LMNAALDH1A1MAPTCA1CA2
SCHEMBL1135351 0.83 CA1 (0.54) LMNASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL3473546 0.82 CA1 (0.52) CA1CA2CA12CA9
SCHEMBL3474408 0.82 CA1 (0.52) LMNACA1CA2CA12CA9
SCHEMBL13429353 0.82 CA1 (0.60) LMNASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL3474675 0.82 CA1 (0.53) HTTSMN1; SMN2ALDH1A1MAPTCA1
SCHEMBL3474384 0.82 CA1 (0.55) CA1CA2CA12CA9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD LMNA 3490/4885HTT 4165/4885SMN1; SMN2 4069/4885

“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.