SCHEMBL2202287

SCHEMBL2202287

O=C(O)c1cnc(C(=O)C(F)(F)F)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.54
HDAC4 P56524 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 5/20 0.50
HCAR2 Q8TDS4 1/20 0.50
DAO P14920 3/20 0.40
ASPH Q12797 1/20 0.40
SCD O00767 1/20 0.37
CES1 P23141 1/20 0.36
GPR35 Q9HC97 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2203055 0.83 HDAC6 (0.49) HDAC6HDAC4HDAC3HDAC1SCD
SCHEMBL1810308 0.79 HCAR2 (0.61) HDAC6HDAC4HDAC3HDAC1HCAR2
Hydrochloric Acid SCHEMBL11597191 0.77 HCAR2 (0.59) HDAC6HDAC4HDAC3HDAC1HCAR2
SCHEMBL2230408 0.76 HDAC6 (0.53) HDAC6HDAC4HDAC3HDAC1KDM4E
SCHEMBL2629373 0.74 HDAC6 (0.44) HDAC6HDAC4HDAC3HDAC1ALDH1A1
SCHEMBL3989938 0.74 HCAR2 (0.52) HDAC6HDAC4HDAC3HDAC1HCAR2
SCHEMBL4019091 0.74 HCAR2 (0.55) HCAR2DAOGPR35KDM4EALDH1A1
SCHEMBL600887 0.74 HCAR2 (0.61) HCAR2DAOKDM4EALDH1A1GAA
SCHEMBL12510199 0.73 HCAR2 (0.50) HDAC6HDAC4HDAC3HDAC1HCAR2
SCHEMBL25373854 0.72 HCAR2 (0.53) HDAC6HDAC4HDAC3HDAC1HCAR2

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
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-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
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 4/4885HDAC3 9/4885

“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.