SCHEMBL2204697

SCHEMBL2204697

COC(=O)c1ccccc1CS(=O)(=O)NC(=O)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.48
HDAC1 Q13547 12/20 0.48
HDAC4 P56524 12/20 0.47
HDAC3 O15379 10/20 0.46
RORC P51449 1/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL4773087 0.89 HDAC6 (0.51) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2205504 0.84 HDAC6 (0.52) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2229580 0.83 HDAC6 (0.67) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL4770675 0.80 HDAC6 (0.64) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL17707550 0.76 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2204872 0.76 HDAC6 (0.55) HDAC6HDAC1HDAC4HDAC3
SCHEMBL2202207 0.75 HDAC6 (0.50) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201348 0.74 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202533 0.73 HDAC1 (0.46) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2231067 0.73 HDAC6 (0.49) HDAC6HDAC1HDAC4HDAC3CYP2C9

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 4 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

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.