SCHEMBL13111170

SCHEMBL13111170

CB1OCc2ccc(NS(=O)(=O)c3cccc(CO)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HTR6 P50406 4/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
PGR P06401 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL13111163 0.89 HTR6 (0.51) ALDH1A1GAAHTTHTR6PGR
SCHEMBL3475504 0.88 CA1 (0.50) CA12CA1CA2CA9
SCHEMBL13111154 0.88 DRD2 (0.45) IKBKBALDH1A1GAAHTTHTR6
SCHEMBL10172234 0.84 HTR6 (0.50) ALDH1A1GAAHTTHTR6PKM
SCHEMBL13111161 0.81 HTR6 (0.45) ALDH1A1GAAHTTHTR6
SCHEMBL13111158 0.80 ALDH1A1 (0.38) ALDH1A1GAAHTTHTR6PGR
SCHEMBL3474950 0.78 HTR6 (0.51) HTR6CA12CA1CA2CA9
SCHEMBL13111172 0.78 KEAP1 (0.48) ALDH1A1GAAHTT
SCHEMBL13111180 0.77 ALDH1A1 (0.40) ALDH1A1GAAHTTHTR6
SCHEMBL13111155 0.76 CA12 (0.49) ALDH1A1GAAHTTCA12CA1

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 IKBKB 399/4885ALDH1A1 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.