SCHEMBL3141625

SCHEMBL3141625

O=C(O)/C=C/c1ccn(S(=O)(=O)c2ccc(I)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.51
HDAC6 Q9UBN7 8/20 0.51
HDAC3 O15379 8/20 0.50
HDAC8 Q9BY41 6/20 0.50
HDAC2 Q92769 7/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
KDM1A O60341 1/20 0.41
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
HDAC4 P56524 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
HCAR2 Q8TDS4 3/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CA12 O43570 2/20 0.36

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
SCHEMBL3141637 1.00 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL8993536 0.87 PKM (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3136207 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296513 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL296512 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3136222 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL295732 0.85 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL295731 0.85 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297010 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL297011 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC8HDAC2

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 HDAC1 1/4885HDAC6 17/4885HDAC3 11/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC6 9/4885HDAC3 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.