SCHEMBL2233258

SCHEMBL2233258

O=C(NCC1CCOC1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.70
HDAC4 P56524 7/20 0.70
HDAC1 Q13547 6/20 0.70
HDAC3 O15379 5/20 0.70
MLYCD O95822 1/20 0.44
NAMPT P43490 6/20 0.42
GLS O94925 1/20 0.41
GSK3B P49841 3/20 0.41
KCNH2 Q12809 3/20 0.41

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
SCHEMBL2205079 0.86 HDAC6 (0.87) HDAC6HDAC4HDAC1HDAC3MLYCD
SCHEMBL2203064 0.82 HDAC6 (1.00) HDAC6HDAC4HDAC1HDAC3MLYCD
SCHEMBL2204276 0.78 HDAC4 (0.66) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2202902 0.73 HDAC6 (0.79) HDAC6HDAC4HDAC1HDAC3MLYCD
SCHEMBL2201513 0.72 NPC1 (0.71) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2201108 0.71 HDAC6 (1.00) HDAC6HDAC4HDAC1HDAC3
SCHEMBL21590172 0.71 NAMPT (0.63) NAMPT
SCHEMBL17707604 0.69 HDAC1 (0.54) HDAC6HDAC4HDAC1HDAC3KCNH2
SCHEMBL17707638 0.69 F10 (0.52) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2229184 0.69 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC3

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 6/4885HDAC4 4/4885HDAC1 1/4885

“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.