SCHEMBL1862525

SCHEMBL1862525

Cn1cnc(S(=O)(=O)n2ccc(/C=C/C(=O)NOC3CCCCO3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.45
▸ TGFBR1 P36897 1/20 0.40
▸ HDAC3 O15379 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ SLC6A9 P48067 4/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ PKM P14618 1/20 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
SCHEMBL1862527 1.00 HDAC1 (0.45) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL1856738 0.88 TGFBR1 (0.40) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL1856736 0.88 TGFBR1 (0.40) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL1856967 0.85 HDAC1 (0.47) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL1856969 0.85 HDAC1 (0.47) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL3141448 0.82 HDAC1 (0.59) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL3141440 0.82 HDAC1 (0.59) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL3140303 0.81 HDAC1 (0.46) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL3140291 0.81 HDAC1 (0.46) HDAC1TGFBR1HDAC3KDM1AHDAC2
SCHEMBL3145137 0.81 HDAC1 (0.43) HDAC1TGFBR1HDAC3KDM1AHDAC2

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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