SCHEMBL1609246

SCHEMBL1609246

CS(=O)(=O)c1cccc(Cn2ccc3ccc(C(=O)NO)cc32)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.60
HDAC6 Q9UBN7 12/20 0.60
HDAC1 Q13547 11/20 0.60
HDAC2 Q92769 8/20 0.60
HDAC3 O15379 7/20 0.60
HDAC10 Q969S8 5/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
EPHX2 P34913 4/20 0.47
PPARG P37231 4/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRA1D P25100 1/20 0.42

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
SCHEMBL1608641 0.88 HDAC8 (0.70) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1994742 0.86 HDAC6 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1608258 0.84 HDAC6 (0.65) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1607766 0.83 HDAC8 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1608706 0.82 HDAC8 (0.72) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1608997 0.82 HSD17B13 (0.46) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1607519 0.82 ADRA1D (0.40) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1607668 0.82 HDAC6 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1607740 0.82 HDAC1 (0.65) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1608298 0.81 HDAC8 (0.78) HDAC8HDAC6HDAC1HDAC2HDAC3

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-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC6 11/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC8 1/4885HDAC6 11/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC6 11/4885HDAC1 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.