SCHEMBL1041144

SCHEMBL1041144

CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccn3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MMP8 P22894 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ GHSR Q92847 2/20 0.38
▸ PFKFB3 Q16875 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ IL1RN P18510 2/20 0.34
▸ ERAP2 Q6P179 2/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34

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
SCHEMBL1041145 1.00 MMP13 (0.43) MMP13ALDH1A1MMP8MMP3MMP1
SCHEMBL297301 0.86 HDAC1 (0.42) MMP13ALDH1A1MMP8MMP3MMP1
SCHEMBL297820 0.85 MMP8 (0.46) MMP13ALDH1A1MMP8MMP3MMP1
SCHEMBL297821 0.85 MMP8 (0.46) MMP13ALDH1A1MMP8MMP3MMP1
SCHEMBL8468644 0.84 MMP8 (0.45) MMP13ALDH1A1MMP8MMP3MMP1
Hydrochloric Acid SCHEMBL1895224 0.84 MMP8 (0.45) MMP13ALDH1A1MMP8MMP3MMP1
Hydrochloric Acid SCHEMBL1895243 0.84 MMP8 (0.45) MMP13ALDH1A1MMP8MMP3MMP1
Hydrochloric Acid SCHEMBL1890104 0.84 MMP8 (0.44) MMP13ALDH1A1MMP8MMP3MMP1
SCHEMBL296254 0.84 MMP3 (0.47) ALDH1A1MMP8MMP3MMP1MMP2
Hydrochloric Acid SCHEMBL1890106 0.84 MMP8 (0.44) MMP13ALDH1A1MMP8MMP3MMP1

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
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
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-20100261721-A1 Novel Sulphonylpyrroles MAIER THOMAS 2010-10-14 — — US disclosed
US-20100261761-A1 Novel Sulfonylpyrroles 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

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 MMP13 4558/4885ALDH1A1 1174/4885MMP8 4301/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 MMP13 4633/4885ALDH1A1 389/4885MMP8 4637/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 MMP13 4559/4885ALDH1A1 897/4885MMP8 4399/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 MMP13 4632/4885ALDH1A1 1504/4885MMP8 4723/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 MMP13 4559/4885ALDH1A1 897/4885MMP8 4399/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 MMP13 4112/4885ALDH1A1 744/4885MMP8 3957/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 MMP13 4632/4885ALDH1A1 1504/4885MMP8 4723/4885

“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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