SCHEMBL2229957

SCHEMBL2229957

O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
KAT6A Q92794 7/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
CYP2C9 P11712 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
PPARG P37231 1/20 0.45
KAT7 O95251 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
KAT6B Q8WYB5 1/20 0.44
KAT5 Q92993 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4767789 0.82 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC4GAA
SCHEMBL2201275 0.82 MCL1 (0.54) HDAC1HDAC6HDAC3HDAC4BCL2L1
SCHEMBL2202722 0.81 FLT1 (0.51) HDAC1HDAC6HDAC3HDAC4LMNA
SCHEMBL4777247 0.80 RAB9A (0.51) HDAC1HDAC6HDAC3HDAC4CYP2C9
SCHEMBL2200105 0.79 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4L3MBTL1
SCHEMBL2199975 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4CYP2C9
SCHEMBL2201168 0.78 HDAC6 (0.57) HDAC1HDAC6HDAC4LMNAGAA
SCHEMBL2200633 0.76 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC4KAT6A
SCHEMBL2204328 0.76 CA1 (0.49) HDAC1HDAC6HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2200241 0.75 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC4KAT6A

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 HDAC1 1/4885HDAC6 6/4885HDAC3 9/4885

“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.