SCHEMBL2203352

SCHEMBL2203352

O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.77
HDAC6 Q9UBN7 8/20 0.77
HDAC4 P56524 7/20 0.77
HDAC3 O15379 6/20 0.77
EPHX2 P34913 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
HTR2C P28335 3/20 0.51
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 1/20 0.47
SCN3A Q9NY46 1/20 0.44
AKR1C3 P42330 1/20 0.44
PTGER4 P35408 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
SCHEMBL20477564 0.87 HDAC1 (0.59) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2200725 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL20477560 0.86 HDAC3 (0.58) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2203242 0.85 HDAC1 (0.79) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2203603 0.84 HDAC1 (0.77) HDAC1HDAC6HDAC4HDAC3
SCHEMBL2232011 0.83 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3
SCHEMBL2207597 0.83 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2229780 0.83 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3
SCHEMBL17707613 0.82 HDAC6 (1.00) HDAC1HDAC6HDAC4HDAC3
SCHEMBL2201215 0.81 HDAC1 (0.85) HDAC1HDAC6HDAC4HDAC3EPHX2

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 HDAC1 1/4885HDAC6 6/4885HDAC4 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.