SCHEMBL13111172

SCHEMBL13111172

CB1OCc2ccc(NS(=O)(=O)c3cccnc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP17A1 P05093 1/20 0.44
SNCA P37840 1/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAP2K7 O14733 1/20 0.40
MAP2K4 P45985 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13035464 0.86 CA1 (0.48) KEAP1NFE2L2KMT2ASNCA
SCHEMBL13111180 0.86 ALDH1A1 (0.40) KMT2AGAAALDH1A1POLBHTT
SCHEMBL10172234 0.86 HTR6 (0.50) KEAP1KMT2AGAABRD4ALDH1A1
SCHEMBL13111167 0.78 ALDH1A1 (0.41) KMT2AGAAALDH1A1POLBHTT
SCHEMBL13108182 0.78 CYP17A1 (0.41) CYP17A1SLC40A1
SCHEMBL13111170 0.78 IKBKB (0.46) GAAALDH1A1HTT
SCHEMBL13111163 0.78 HTR6 (0.51) GAAALDH1A1HTT
SCHEMBL13111158 0.78 ALDH1A1 (0.38) KMT2AGAAALDH1A1POLBHTT
SCHEMBL13111620 0.77 CA1 (0.41) GAAALDH1A1HTTSMN1; SMN2
SCHEMBL13111162 0.77 ALDH1A1 (0.59) KMT2AGAABRD4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 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 (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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD KEAP1 1402/4885NFE2L2 1231/4885KMT2A 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.