SCHEMBL2229282

SCHEMBL2229282

O=C(NCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)C(F)(F)F)s2)s1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.55
HDAC4 P56524 11/20 0.55
HDAC1 Q13547 10/20 0.55
HDAC3 O15379 8/20 0.55
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
CCKBR P32239 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.40
LOX P28300 1/20 0.39
MLYCD O95822 1/20 0.38

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
SCHEMBL7451657 0.79 MEN1 (0.51) HDAC6HDAC1HDAC3BCL2BCL2L1
SCHEMBL12334073 0.75 CCKBR (0.49) CCKBRMEN1KMT2AHPGD
SCHEMBL2201376 0.75 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC3MEN1
SCHEMBL7460244 0.75 CCKBR (0.50) BCL2BCL2L1CCKBRMEN1KMT2A
SCHEMBL8033818 0.74 HPGD (0.54) HDAC6HDAC1HDAC3BCL2BCL2L1
SCHEMBL1742818 0.73 HPGD (0.52) HDAC6HDAC1HDAC3BCL2BCL2L1
SCHEMBL13881587 0.73 MEN1 (0.54) HDAC6HDAC1HDAC3BCL2BCL2L1
SCHEMBL1742958 0.73 HPGD (0.52) CCKBRMEN1KMT2AHPGDLOX
Hydrochloric Acid SCHEMBL28187724 0.73 HPGD (0.52) HDAC6HDAC1HDAC3BCL2BCL2L1
SCHEMBL12334053 0.73 NR1H3 (0.54) CCKBRMEN1KMT2AHPGDMLYCD

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 6/4885HDAC4 4/4885HDAC1 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.