SCHEMBL5336744

SCHEMBL5336744

CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCOCC3)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 1.00
HDAC4 P56524 20/20 1.00
HDAC1 Q13547 20/20 1.00
HDAC7 Q8WUI4 20/20 1.00
HDAC2 Q92769 20/20 1.00
HDAC10 Q969S8 20/20 1.00
HDAC11 Q96DB2 20/20 1.00
HDAC8 Q9BY41 20/20 1.00
HDAC6 Q9UBN7 20/20 1.00
HDAC9 Q9UKV0 20/20 1.00
HDAC5 Q9UQL6 20/20 1.00
CYP2C9 P11712 1/20 0.57

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
SCHEMBL14500108 0.96 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5661136 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8240727 0.92 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5333458 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316716 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315375 0.89 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5661174 0.88 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5661930 0.87 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317157 0.87 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316026 0.84 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 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 (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-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 HDAC3 3/4885HDAC4 7/4885HDAC1 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.