SCHEMBL297318

SCHEMBL297318

O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccccn3)s2)c1)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ PFKFB3 Q16875 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CCR5 P51681 1/20 0.32

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
SCHEMBL297317 1.00 MMP3 (0.41) MMP3MMP1MMP2MMP7ALDH1A1
SCHEMBL3139920 0.85 KDM4E (0.40) ALDH1A1PKMPFKFB3TGFBR1HDAC3
SCHEMBL3139908 0.85 KDM4E (0.40) ALDH1A1PKMPFKFB3TGFBR1HDAC3
SCHEMBL3141301 0.85 HDAC1 (0.43) ALDH1A1TGFBR1HDAC3KDM1AHDAC1
SCHEMBL3141293 0.85 HDAC1 (0.43) ALDH1A1TGFBR1HDAC3KDM1AHDAC1
SCHEMBL3146254 0.84 EPHX2 (0.36) ALDH1A1TGFBR1HDAC3HDAC1POLB
SCHEMBL3146249 0.84 EPHX2 (0.36) ALDH1A1TGFBR1HDAC3HDAC1POLB
SCHEMBL3140554 0.83 TGFBR1 (0.34) TGFBR1F2HDAC3KDM1AHDAC1
SCHEMBL3140545 0.83 TGFBR1 (0.34) TGFBR1F2HDAC3KDM1AHDAC1
SCHEMBL3133861 0.82 RXRA (0.35) ALDH1A1TGFBR1HDAC3KDM1AHDAC1

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 21 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-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
EP-1928826-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS Nycomed GmbH (DE) 2008-06-11 — — EP disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES 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

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 MMP3 2718/4885MMP1 3639/4885MMP2 2844/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 MMP3 2776/4885MMP1 3636/4885MMP2 2958/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 MMP3 3059/4885MMP1 3619/4885MMP2 2933/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 MMP3 3398/4885MMP1 4030/4885MMP2 3013/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 MMP3 3059/4885MMP1 3619/4885MMP2 2933/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 MMP3 1519/4885MMP1 2221/4885MMP2 1707/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 MMP3 3398/4885MMP1 4030/4885MMP2 3013/4885

“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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