SCHEMBL296917

SCHEMBL296917

CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ STS P08842 1/20 0.38
▸ AKR1B10 O60218 2/20 0.37
▸ AKR1B1 P15121 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 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
SCHEMBL296916 1.00 HDAC1 (0.39) HDAC1NR1H4LMNANPC1RAB9A
SCHEMBL295190 0.83 HDAC1 (0.45) HDAC1NPC1RAB9AGPR183HDAC6
SCHEMBL295189 0.83 HDAC1 (0.45) HDAC1NPC1RAB9AGPR183HDAC6
SCHEMBL297039 0.80 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC8
SCHEMBL297040 0.80 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC8
SCHEMBL295896 0.79 HDAC1 (0.51) HDAC1HDAC6KMT2AHDAC3HDAC8
SCHEMBL295895 0.79 HDAC1 (0.51) HDAC1HDAC6KMT2AHDAC3HDAC8
SCHEMBL297118 0.76 HDAC1 (0.42) HDAC1NR1H4HDAC6KMT2AHDAC3
SCHEMBL297119 0.76 HDAC1 (0.42) HDAC1NR1H4HDAC6KMT2AHDAC3
SCHEMBL297050 0.76 HDAC1 (0.53) HDAC1NR1H4LMNAGPR183HDAC6

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 19 patents. 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
EP-2272827-A1 Sulphonylpyrroles as hdac inhibitors 4SC AG (DE) 2011-01-12 — — EP disclosed
US-7842820-B2 Sulfonylpyrroles 4SC AG (DE) 2010-11-30 — — US disclosed
US-20100261761-A1 Novel Sulfonylpyrroles MAIER THOMAS 2010-10-14 — — 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
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 — — US 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 (7 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 HDAC1 1/4885NR1H4 2578/4885LMNA 4544/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 HDAC1 1/4885NR1H4 1570/4885LMNA 3914/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 HDAC1 1/4885NR1H4 1901/4885LMNA 4597/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 HDAC1 2/4885NR1H4 1292/4885LMNA 3603/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 HDAC1 1/4885NR1H4 1901/4885LMNA 4597/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 HDAC1 1/4885NR1H4 2667/4885LMNA 4561/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HDAC1 2/4885NR1H4 1292/4885LMNA 3603/4885

“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.

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