SCHEMBL1857071

SCHEMBL1857071

O=C(O)C=Cc1ccn(S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C1 Q04828 2/20 0.46
GPR183 P32249 1/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC6 Q9UBN7 4/20 0.45
HDAC3 O15379 4/20 0.44
HDAC8 Q9BY41 3/20 0.44
PKM P14618 1/20 0.42
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
KDM1A O60341 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
TSHR P16473 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HDAC4 P56524 2/20 0.41

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
SCHEMBL1857067 1.00 AKR1C3 (0.46) AKR1C3AKR1C1GPR183HDAC1HDAC6
SCHEMBL1868213 0.88 HDAC1 (0.61) GPR183HDAC1HDAC6HDAC3HDAC8
SCHEMBL1868212 0.88 HDAC1 (0.61) GPR183HDAC1HDAC6HDAC3HDAC8
SCHEMBL8993536 0.85 PKM (0.54) GPR183HDAC1HDAC6HDAC3HDAC8
SCHEMBL295731 0.83 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8PKM
SCHEMBL295732 0.83 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8PKM
SCHEMBL1864225 0.83 HDAC1 (0.42) AKR1C3AKR1C1GPR183HDAC1HDAC6
SCHEMBL1864228 0.83 HDAC1 (0.42) AKR1C3AKR1C1GPR183HDAC1HDAC6
SCHEMBL295857 0.82 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8PKM
SCHEMBL295856 0.82 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8PKM

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 AKR1C3 3261/4885AKR1C1 1834/4885GPR183 3563/4885

“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.