SCHEMBL297094

SCHEMBL297094

CC(C)(C)[Si](C)(C)OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.50
KCNH2 Q12809 4/20 0.50
HDAC6 Q9UBN7 8/20 0.48
HDAC3 O15379 7/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC4 P56524 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
CYP3A4 P08684 1/20 0.47
NAMPT P43490 5/20 0.43
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL297095 1.00 HDAC1 (0.50) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL296351 0.93 HDAC1 (0.48) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL296352 0.93 HDAC1 (0.48) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL211458 0.87 HDAC1 (0.60) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL211459 0.87 HDAC1 (0.60) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL1040569 0.86 HDAC1 (0.46) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL299833 0.86 HDAC1 (0.46) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL4209055 0.81 HDAC1 (0.73) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL4209044 0.81 HDAC1 (0.73) HDAC1KCNH2HDAC6HDAC3HDAC8
SCHEMBL211394 0.80 HDAC1 (0.61) HDAC1KCNH2HDAC6HDAC3HDAC8

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 17 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

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 1/4885KCNH2 2684/4885HDAC6 8/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 HDAC1 1/4885KCNH2 3120/4885HDAC6 8/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 HDAC1 1/4885KCNH2 1929/4885HDAC6 7/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 HDAC1 2/4885KCNH2 836/4885HDAC6 7/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 HDAC1 1/4885KCNH2 1929/4885HDAC6 7/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 HDAC1 1/4885KCNH2 1349/4885HDAC6 5/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HDAC1 2/4885KCNH2 836/4885HDAC6 7/4885

“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.