SCHEMBL2201070

SCHEMBL2201070

O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.61
HDAC1 Q13547 11/20 0.61
HDAC4 P56524 10/20 0.61
HDAC3 O15379 9/20 0.61
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
ELOVL1 Q9BW60 1/20 0.44
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
LOXL2 Q9Y4K0 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
SCHEMBL2230709 0.91 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3MAPK1
SCHEMBL17707594 0.78 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3MAPT
SCHEMBL2227256 0.78 MAPT (0.67) HDAC6HDAC1HDAC4HDAC3MAPK1
SCHEMBL2201215 0.77 HDAC1 (0.85) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL17707613 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HDAC7
Trifluoroacetic Acid SCHEMBL2199699 0.77 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC3MAPT
SCHEMBL2204320 0.75 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3
SCHEMBL2290270 0.74 HDAC6 (0.79) HDAC6HDAC1HDAC4HDAC3
SCHEMBL2202626 0.74 HDAC6 (0.62) HDAC6HDAC1HDAC4HDAC3MAPK1
SCHEMBL2202228 0.74 HDAC6 (0.62) HDAC6HDAC1HDAC4HDAC3HDAC7

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.