SCHEMBL4160887

SCHEMBL4160887

O=C(NCc1c[n+](OC(=O)C(F)(F)F)n2ccccc12)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.53
HDAC1 Q13547 12/20 0.53
HDAC4 P56524 10/20 0.51
HDAC3 O15379 10/20 0.51
EPHX2 P34913 5/20 0.35
CYP2C9 P11712 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
SCHEMBL4178136 0.72 HDAC6 (0.49) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2203012 0.72 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3CYP2C9
Trifluoroacetic Acid SCHEMBL4160882 0.71 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL2201679 0.70 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202013 0.70 HDAC1 (1.00) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL4793267 0.69 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL2229502 0.69 HDAC1 (0.68) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL17707613 0.69 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2229213 0.68 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL2204320 0.68 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3EPHX2

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 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-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 6/4885HDAC1 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.