SCHEMBL2201077

SCHEMBL2201077

CC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.67
HDAC1 Q13547 13/20 0.67
HDAC4 P56524 12/20 0.67
HDAC3 O15379 11/20 0.67
CYP2C9 P11712 2/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL6030315 0.82 ALDH1A1 (0.51) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL10442011 0.81 GAA (0.63) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL2202578 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202591 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL10441736 0.79 HPGD (0.59) HDAC1ALDH1A1POLBMAPTHPGD
SCHEMBL17707617 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202572 0.77 HDAC6 (0.67) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201710 0.76 HDAC6 (0.78) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL10441734 0.76 MAPT (0.50) CYP2C9ALDH1A1POLBMAPTHPGD
SCHEMBL17707611 0.76 HDAC6 (0.64) HDAC6HDAC1HDAC4HDAC3CYP2C9

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.