SCHEMBL1864225

SCHEMBL1864225

CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC3 O15379 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
KDM1A O60341 1/20 0.41
GPR183 P32249 1/20 0.41
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ACACB O00763 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 4/20 0.37
KAT6A Q92794 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL1864228 1.00 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL295896 0.85 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL295895 0.85 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297118 0.84 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297119 0.84 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1860088 0.84 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296040 0.83 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296039 0.83 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1857071 0.83 AKR1C3 (0.46) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1857067 0.83 AKR1C3 (0.46) HDAC1HDAC6HDAC3HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868994-B1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-05-25 EP disclosed
US-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors NYCOMED GMBH (DE) 2009-05-07 US disclosed
EP-1868994-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-26 EP disclosed
WO-2006105979-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-10-12 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-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC6 8/4885HDAC3 2/4885

“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.