SCHEMBL3089445

SCHEMBL3089445

O=C(O)C=Cc1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.68
HDAC1 Q13547 9/20 0.62
HDAC4 P56524 6/20 0.52
HDAC3 O15379 2/20 0.52
HPGDS O60760 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PIM2 Q9P1W9 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
SCHEMBL3089442 1.00 HDAC6 (0.68) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3080077 0.88 HDAC6 (0.64) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3080076 0.88 HDAC6 (0.64) HDAC6HDAC1HDAC4HDAC3
SCHEMBL6976440 0.84 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3094688 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL28510300 0.79 HSD17B1 (0.50) HDAC6HDAC1HDAC4HDAC3NPSR1
SCHEMBL30584110 0.79 HSD17B1 (0.50) HDAC6HDAC1HDAC4HDAC3NPSR1
SCHEMBL3092930 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC4HDAC3NPSR1
SCHEMBL3092917 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC4HDAC3NPSR1
SCHEMBL2224563 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
US-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 US 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 HDAC6 10/4885HDAC1 1/4885HDAC4 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.