SCHEMBL2202058

SCHEMBL2202058

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.57
HDAC6 Q9UBN7 19/20 0.54
HDAC1 Q13547 16/20 0.54
HDAC4 P56524 10/20 0.54
HDAC3 O15379 10/20 0.54
CYP2C9 P11712 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL6181512 0.82 F2 (0.71) F2
SCHEMBL2999971 0.81 F2 (0.59) F2HDAC6HDAC1HDAC4HDAC3
SCHEMBL2202349 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL5656425 0.76 F2 (0.77) F2HDAC6
SCHEMBL7369616 0.75 DAO (0.68) F2HDAC6HDAC1HDAC4HDAC3
SCHEMBL2227006 0.75 CES2 (0.59) HDAC6HDAC1HDAC4HDAC3
SCHEMBL12310794 0.75 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL12426785 0.75 HDAC6 (0.68) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL13154032 0.75 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL19071177 0.74 F2 (0.47) F2HDAC6HDAC1HDAC4HDAC3

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 7 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 disclosed
WO-2013181487-A3 METHOD OF TREATING STIEFEL LABORATORIES, INC. (US) 2014-01-30 WO disclosed
WO-2013181487-A2 METHOD OF TREATING STIEFEL LABORATORIES, INC. (US) 2013-12-05 WO 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 F2 4197/4885HDAC6 6/4885HDAC1 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.