SCHEMBL299452

SCHEMBL299452

CN(C)Cc1ccc(S(=O)(=O)n2cccc2/C=C/C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC3 O15379 2/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ PPME1 Q9Y570 7/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ APEH P13798 1/20 0.41
▸ LSS P48449 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ RAPGEF4 Q8WZA2 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
SCHEMBL299453 1.00 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC8PPME1
SCHEMBL299898 0.84 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC8PPME1
SCHEMBL299897 0.84 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC8PPME1
SCHEMBL8446079 0.77 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC8HDAC2
Hydrochloric Acid SCHEMBL1888889 0.76 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC8HDAC2
Hydrochloric Acid SCHEMBL1888891 0.76 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC8HDAC2
SCHEMBL30895905 0.74 HCAR2 (0.40) HDAC6HDAC1HDAC3HDAC8PPME1
SCHEMBL30895883 0.74 HCAR2 (0.40) HDAC6HDAC1HDAC3HDAC8PPME1
SCHEMBL4575024 0.71 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC8HDAC2
SCHEMBL4575021 0.71 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC8HDAC2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 — — US disclosed
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 — — EP disclosed
EP-1928826-B1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS 4SC AG (DE) 2013-04-24 — — EP disclosed
US-20130079347-A1 NOVEL SULFONYLPYRROLES ALTANA PHARMA AG (DE) 2013-03-28 — — US disclosed
US-8399505-B2 Sulfonylpyrroles 4SC AG (DE) 2013-03-19 — — US disclosed
US-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 — — US disclosed
US-8188138-B2 Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors 4SC AG (DE) 2012-05-29 — — US disclosed
EP-1928872-B1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC 4SC AG (DE) 2012-03-14 — — EP disclosed
US-8067615-B2 Sulphonylpyrroles 4SC AG (DE) 2011-11-29 — — US disclosed
US-20110166140-A1 NOVEL SULPHONYLPYRROLES MAIER THOMAS 2011-07-07 — — US disclosed
US-20100261721-A1 Novel Sulphonylpyrroles MAIER THOMAS 2010-10-14 — — US disclosed
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors NYCOMED GMBH (DE) 2009-12-03 — — US disclosed
US-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles NYCOMED GMBH (DE) 2009-10-22 — — US disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES Nycomed GmbH (DE) 2008-06-11 — — EP disclosed
EP-1928826-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS Nycomed GmbH (DE) 2008-06-11 — — EP disclosed
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 — — US disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES NYCOMED GMBH (DE) 2007-04-12 — — WO disclosed
WO-2007039403-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS NYCOMED GMBH (DE) 2007-04-12 — — WO disclosed
EP-1725528-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS Altana Pharma AG (DE) 2006-11-29 — — EP disclosed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 — — 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 (6 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-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 HDAC6 8/4885HDAC1 1/4885HDAC3 2/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 HDAC6 8/4885HDAC1 1/4885HDAC3 3/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 HDAC6 7/4885HDAC1 1/4885HDAC3 2/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 HDAC6 7/4885HDAC1 1/4885HDAC3 2/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 HDAC6 5/4885HDAC1 1/4885HDAC3 2/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HDAC6 7/4885HDAC1 2/4885HDAC3 1/4885

“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.

Send feedback