SCHEMBL5020609

SCHEMBL5020609

C/C(=C\c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC8 Q9BY41 10/20 0.69
HDAC4 P56524 9/20 0.69
HDAC3 O15379 7/20 0.69
HDAC7 Q8WUI4 7/20 0.69
HDAC2 Q92769 7/20 0.69
HDAC10 Q969S8 7/20 0.69
HDAC11 Q96DB2 7/20 0.69
HDAC6 Q9UBN7 7/20 0.69
HDAC9 Q9UKV0 7/20 0.69
HDAC5 Q9UQL6 7/20 0.69
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
IL1RN P18510 1/20 0.50
KEAP1 Q14145 1/20 0.50

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
SCHEMBL397674 0.87 HDAC1 (0.78) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL397675 0.87 HDAC1 (0.78) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL5020745 0.87 HDAC1 (0.78) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL23511012 0.86 HDAC1 (0.75) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL396739 0.82 HDAC1 (0.69) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL396738 0.82 HDAC1 (0.69) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL6242252 0.80 HDAC1 (0.79) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL6242242 0.80 HDAC1 (0.79) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1629868 0.79 AKR1C3 (0.64) HDAC1HDAC8HDAC4HDAC3HDAC2
SCHEMBL23852868 0.77 HDAC1 (0.71) HDAC1HDAC8HDAC4HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885HDAC4 6/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885HDAC4 6/4885

“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.