SCHEMBL2200241

SCHEMBL2200241

Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.50
HDAC1 Q13547 11/20 0.50
HDAC4 P56524 10/20 0.50
HDAC3 O15379 9/20 0.50
CYP2C9 P11712 2/20 0.45
ALKBH2 Q6NS38 1/20 0.44
ALKBH3 Q96Q83 1/20 0.44
FBP1 P09467 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KAT6A Q92794 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2200633 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2199975 0.82 HDAC1 (0.57) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201932 0.78 HDAC6 (0.48) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201213 0.78 F2 (0.46) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL4767789 0.77 HDAC6 (0.52) HDAC6HDAC1HDAC4HDAC3CA1
SCHEMBL2202373 0.76 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2229957 0.75 HDAC1 (0.47) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202203 0.74 HDAC6 (0.56) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202396 0.74 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201275 0.74 MCL1 (0.54) HDAC6HDAC1HDAC4HDAC3CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HDAC6 6/4885HDAC1 1/4885HDAC4 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.