SCHEMBL1859942

SCHEMBL1859942

O=C(/C=C/c1ccn(S(=O)(=O)c2cc3ccccc3s2)c1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.42
▸ TGFBR1 P36897 1/20 0.36
▸ HDAC3 O15379 4/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ CA2 P00918 3/20 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

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
SCHEMBL1859943 1.00 HDAC1 (0.42) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL1857695 0.84 HDAC1 (0.40) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL1857700 0.84 HDAC1 (0.40) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL3146249 0.83 EPHX2 (0.36) HDAC1TGFBR1HDAC3HDAC6HDAC8
SCHEMBL3146254 0.83 EPHX2 (0.36) HDAC1TGFBR1HDAC3HDAC6HDAC8
SCHEMBL297318 0.81 MMP3 (0.41) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL297317 0.81 MMP3 (0.41) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL295185 0.81 HDAC1 (0.49) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL295186 0.81 HDAC1 (0.49) HDAC1TGFBR1HDAC3HDAC2HDAC10
SCHEMBL1044267 0.80 HDAC1 (0.41) HDAC1TGFBR1HDAC3HDAC2HDAC10

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 HDAC1 1/4885TGFBR1 2142/4885HDAC3 2/4885

“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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