SCHEMBL1860196

SCHEMBL1860196

Cc1nc(C)c(S(=O)(=O)n2ccc(/C=C/C(=O)NOC3CCCCO3)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.40
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRD7 Q9NPI1 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CHRM5 P08912 1/20 0.31

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
SCHEMBL1860198 1.00 TGFBR1 (0.40) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1856736 0.83 TGFBR1 (0.40) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1856738 0.83 TGFBR1 (0.40) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL3139920 0.82 KDM4E (0.40) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL3139908 0.82 KDM4E (0.40) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1856967 0.81 HDAC1 (0.47) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1856969 0.81 HDAC1 (0.47) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1862525 0.81 HDAC1 (0.45) TGFBR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL3146249 0.81 EPHX2 (0.36) TGFBR1HDAC1HDAC6HDAC3HDAC8
SCHEMBL1862527 0.81 HDAC1 (0.45) TGFBR1HDAC1HDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868994-B1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-05-25 — — EP disclosed
US-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors NYCOMED GMBH (DE) 2009-05-07 — — US disclosed
EP-1868994-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-26 — — EP disclosed
WO-2006105979-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-10-12 — — 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 (1 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-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors HDAC1, HDAC3, HDAC2 TGFBR1 2142/4885HDAC1 1/4885HDAC6 8/4885

“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.

Send feedback