SCHEMBL3095173

SCHEMBL3095173

O=C(c1ccc(-c2csc3ccccc23)s1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.56
HDAC1 Q13547 11/20 0.46
HDAC4 P56524 9/20 0.46
HDAC3 O15379 4/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 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
SCHEMBL23330308 0.77 HPGD (0.39) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL23331122 0.77 ERCC5 (0.46) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL23300721 0.76 CYP1A2 (0.45) ALDH1A1HPGDHDAC2
SCHEMBL23330404 0.74 ERCC5 (0.40) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL3094688 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL38652456 0.72 HDAC3 (0.57) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL23300792 0.72 STING1 (0.40) ALDH1A1HPGD
SCHEMBL3093602 0.71 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL2201932 0.71 HDAC6 (0.48) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL3081185 0.70 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3ALDH1A1

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 5 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
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 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-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.