SCHEMBL2289467

SCHEMBL2289467

NC(=O)c1cc(C(=O)C(F)(F)F)cs1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.50
HDAC4 P56524 3/20 0.50
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CES1 P23141 1/20 0.39
GSK3B P49841 2/20 0.38
ACHE P22303 2/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL2202050 0.83 HDAC6 (0.55) HDAC6HDAC4CES1GSK3BACHE
SCHEMBL30543968 0.80 HPGD (0.50) HPGDHTTCES1GSK3BF2
SCHEMBL25194979 0.75 GSK3B (0.59) HPGDHTTGSK3B
SCHEMBL6827968 0.75 HPGD (0.46) HPGDHTTCES1GSK3BF2
SCHEMBL25193528 0.75 HPGD (0.46) HPGDHTTCES1GSK3BF2
SCHEMBL2225273 0.73 HDAC6 (0.42) HDAC6HDAC4CES1ACHE
Hydrochloric Acid SCHEMBL6825779 0.73 HPGD (0.45) HPGDHTTGSK3BF2
SCHEMBL25184460 0.70 GSK3B (0.50) HPGDHTTCES1GSK3B
SCHEMBL18830929 0.69 HDAC6 (0.54) HDAC6HDAC4CES1
SCHEMBL165498 0.67

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 3 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US 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 4/4885HPGD 1160/4885

“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.