SCHEMBL5020581

SCHEMBL5020581

O=C(O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.82
THRB P10828 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
TDP1 Q9NUW8 1/20 0.82
HDAC1 Q13547 6/20 0.71
HDAC2 Q92769 5/20 0.61
HDAC6 Q9UBN7 5/20 0.61
HDAC3 O15379 4/20 0.61
HDAC4 P56524 4/20 0.61
HDAC7 Q8WUI4 4/20 0.61
HDAC10 Q969S8 4/20 0.61
HDAC11 Q96DB2 4/20 0.61
HDAC9 Q9UKV0 4/20 0.61
HDAC5 Q9UQL6 4/20 0.61
HTR6 P50406 3/20 0.49
GAA P10253 2/20 0.48
IL1RN P18510 1/20 0.47
KEAP1 Q14145 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL1403010 0.92 HDAC8 (0.71) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL1403007 0.92 HDAC8 (0.71) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL30702322 0.90 HDAC8 (1.00) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL29487516 0.90 HDAC8 (1.00) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL1232655 0.90 HDAC8 (1.00) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL1232657 0.90 HDAC8 (1.00) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL13477817 0.89 HDAC8 (0.81) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL5020580 0.86 HDAC8 (0.70) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL8251666 0.86 HDAC8 (0.70) HDAC8THRBMEN1KMT2ATDP1
SCHEMBL27358409 0.86 HDAC8 (0.69) HDAC8THRBMEN1KMT2ATDP1

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 10 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
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

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 HDAC8 9/4885THRB 3571/4885MEN1 1848/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC8 9/4885THRB 3571/4885MEN1 1848/4885

“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.