SCHEMBL3139920

SCHEMBL3139920

Cc1nc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NOC4CCCCO4)c3)s2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.40
▸ MAPT P10636 5/20 0.40
▸ IRS1 P35568 1/20 0.39
▸ GAB1 Q13480 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.36
▸ PFKFB4 Q16877 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCKBR P32239 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3139908 1.00 KDM4E (0.40) KDM4EMAPTIRS1GAB1TGFBR1
SCHEMBL3141293 0.85 HDAC1 (0.43) TGFBR1ALDH1A1HDAC1HDAC3KDM1A
SCHEMBL297317 0.85 MMP3 (0.41) TGFBR1PFKFB3POLBKMT2AALDH1A1
SCHEMBL297318 0.85 MMP3 (0.41) TGFBR1PFKFB3POLBKMT2AALDH1A1
SCHEMBL3141301 0.85 HDAC1 (0.43) TGFBR1ALDH1A1HDAC1HDAC3KDM1A
SCHEMBL3146254 0.83 EPHX2 (0.36) MAPTTGFBR1POLBMEN1KMT2A
SCHEMBL3146249 0.83 EPHX2 (0.36) MAPTTGFBR1POLBMEN1KMT2A
SCHEMBL1860196 0.82 TGFBR1 (0.40) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL1860198 0.82 TGFBR1 (0.40) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL3137526 0.82 HDAC1 (0.38) TGFBR1POLBMEN1KMT2AHDAC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 — — 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
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 — — EP 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
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 — — EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 — — 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 (2 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-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 KDM4E 526/4885MAPT 2793/4885IRS1 1279/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 KDM4E 120/4885MAPT 3187/4885IRS1 843/4885

“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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