SCHEMBL4806773

SCHEMBL4806773

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.72
HDAC8 Q9BY41 4/20 0.72
HDAC3 O15379 3/20 0.72
HDAC4 P56524 3/20 0.72
HDAC7 Q8WUI4 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 3/20 0.72
HDAC6 Q9UBN7 3/20 0.72
HDAC9 Q9UKV0 3/20 0.72
HDAC5 Q9UQL6 3/20 0.72
MAPT P10636 3/20 0.63
HPGD P15428 2/20 0.63
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
GSK3B P49841 1/20 0.59
LMNA P02545 4/20 0.56

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
SCHEMBL4814781 1.00 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5370526 0.94 HDAC1 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6026901 0.86 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4819218 0.84 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4818569 0.84 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4816960 0.83 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408109 0.83 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4814116 0.83 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4818937 0.83 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6756075 0.83 FFAR4 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7

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-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
EP-1773398-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-04-18 EP disclosed
CN-1798733-A Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS INC (US) 2006-07-05 CN disclosed
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005120515-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-22 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-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 HDAC1 4/4885HDAC8 8/4885HDAC3 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.