SCHEMBL4819218

SCHEMBL4819218

CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

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

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
SCHEMBL4818569 1.00 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14408149 0.93 HDAC1 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14408147 0.90 HDAC1 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14408105 0.90 HDAC1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8276109 0.90 HDAC1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8273338 0.88 HDAC1 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274586 0.88 HDAC1 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14408157 0.88 HDAC1 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14408148 0.88 HDAC1 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274492 0.88 HDAC3 (0.79) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7381749-B2 Sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-06-03 US disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
EP-1635800-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2006-03-22 EP disclosed
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed
WO-2005120515-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-22 WO disclosed
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2005-02-03 US disclosed
WO-2004110418-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2004-12-23 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-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC5, HDAC1 HDAC3 4/4885HDAC4 8/4885HDAC1 3/4885
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 HDAC3 2/4885HDAC4 7/4885HDAC1 4/4885

“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.