Sugi Predict

Sugi Predict / Compounds / SCHEMBL8993555

SCHEMBL8993555

SCHEMBL8993555

CC(=O)/C=C/c1ccn(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.58
▸ HDAC1 Q13547 9/20 0.52
▸ HDAC6 Q9UBN7 7/20 0.52
▸ GLA P06280 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HDAC3 O15379 6/20 0.51
▸ HDAC8 Q9BY41 6/20 0.51
▸ HDAC2 Q92769 5/20 0.47
▸ HDAC10 Q969S8 5/20 0.47
▸ HDAC11 Q96DB2 5/20 0.47
▸ HDAC9 Q9UKV0 5/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43

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
SCHEMBL8993536 0.88 PKM (0.54) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL9058177 0.82 PKM (0.48) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL9567649 0.82 PKM (0.51) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL9567651 0.82 PKM (0.51) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL295731 0.81 HDAC1 (0.53) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL295732 0.81 HDAC1 (0.53) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL13415791 0.80 GLA (0.46) PKMHDAC1HDAC6GLATDP1
SCHEMBL296512 0.79 HDAC1 (0.54) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL296513 0.79 HDAC1 (0.54) PKMHDAC1HDAC6HDAC3HDAC8
SCHEMBL296490 0.78 HDAC1 (0.65) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 — — US disclosed
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 — — US 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
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-7842820-B2 Sulfonylpyrroles 4SC AG (DE) 2010-11-30 — — US disclosed
US-20100261721-A1 Novel Sulphonylpyrroles MAIER THOMAS 2010-10-14 — — US disclosed
US-20100261761-A1 Novel Sulfonylpyrroles MAIER THOMAS 2010-10-14 — — US disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 — — US disclosed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 — — 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 — — 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 (9 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 PKM 1330/4885HDAC1 1/4885HDAC6 8/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 PKM 563/4885HDAC1 1/4885HDAC6 8/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 PKM 869/4885HDAC1 1/4885HDAC6 7/4885
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 PKM 3999/4885HDAC1 1/4885HDAC6 17/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 PKM 726/4885HDAC1 2/4885HDAC6 7/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 PKM 869/4885HDAC1 1/4885HDAC6 7/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 PKM 1062/4885HDAC1 1/4885HDAC6 5/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 PKM 726/4885HDAC1 2/4885HDAC6 7/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 PKM 1305/4885HDAC1 1/4885HDAC6 9/4885

“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.