SCHEMBL4538018

SCHEMBL4538018

O=C(NO)C(NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
MMP2 P08253 4/20 0.54
MMP9 P14780 3/20 0.54
HPN P05981 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PLAU P00749 1/20 0.50
MMP1 P03956 2/20 0.48
MMP13 P45452 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL7373322 0.86 MMP9 (0.57) MMP2MMP9MMP1MMP13CA1
SCHEMBL7373320 0.86 MMP9 (0.57) MMP2MMP9MMP1MMP13CA1
SCHEMBL2053891 0.84 SLC1A3 (0.56) HDAC8HDAC6MMP2MMP9MMP1
SCHEMBL10102615 0.84 SLC1A3 (0.56) HDAC8HDAC6MMP2MMP9MMP1
SCHEMBL7026805 0.81 GFER (0.60) HDAC8HDAC6MMP9HPNPLAU
SCHEMBL8273982 0.81 SLC1A3 (0.53) HDAC8HDAC6MMP2MMP9HPN
SCHEMBL3940975 0.78 ADAM17 (0.76) MMP2MMP9MMP1MMP13MMP8
SCHEMBL3950460 0.78 ADAM17 (0.76) MMP2MMP9MMP1MMP13MMP8
SCHEMBL11707446 0.76 CYP1A2 (0.54) HDAC8HDAC6MMP2MMP9HPN
SCHEMBL7380443 0.75 MMP13 (0.77) HDAC8HDAC6MMP2MMP9MMP1

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC8 11/4885HDAC6 9/4885MMP2 322/4885

“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.