SCHEMBL4815316

SCHEMBL4815316

O=C(CS)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 4/20 0.67
MAPK1 P28482 1/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
NLRP1 Q9C000 1/20 0.54
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
PPARG P37231 3/20 0.49

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
SCHEMBL14408112 0.87 ITGA1 (0.51) ITGA1MAPK1HDAC1HDAC8HDAC3
SCHEMBL14408111 0.87 MAPK1 (0.51) ITGA1MAPK1HDAC1HDAC8HDAC3
SCHEMBL4814368 0.84 HDAC3 (0.69) ITGA1MAPK1HDAC1HDAC8MEN1
SCHEMBL8274502 0.83 HDAC1 (0.74) ITGA1MAPK1HDAC1HDAC8HDAC3
SCHEMBL4808584 0.81 HDAC1 (0.67) HDAC1HDAC8MEN1KMT2AMAPT
SCHEMBL14408121 0.81 HDAC1 (0.67) HDAC1HDAC8MEN1KMT2AMAPT
SCHEMBL3268660 0.80 ITGA1 (0.68) ITGA1MAPK1HDAC1HDAC8MEN1
SCHEMBL13631960 0.80 ITGA1 (1.00) ITGA1MAPK1HDAC1HDAC8MEN1
SCHEMBL4813023 0.79 HDAC3 (0.70) HDAC1HDAC8MEN1KMT2AMAPT
SCHEMBL4565254 0.79 IKBKB (0.67) ITGA1MAPK1HDAC1HDAC8MEN1

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
US-7381749-B2 Sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-06-03 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
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 ITGA1 2727/4885MAPK1 2632/4885HDAC1 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.