SCHEMBL3098643

SCHEMBL3098643

COc1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 1.00
HDAC1 Q13547 3/20 0.63
HSD17B2 P37059 11/20 0.62
HSD17B1 P14061 9/20 0.62
CYP2C9 P11712 1/20 0.56
HDAC4 P56524 1/20 0.52

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
SCHEMBL3090811 0.87 HDAC6 (0.77) HDAC6HDAC1HSD17B2HSD17B1HDAC4
SCHEMBL3103769 0.86 HDAC6 (0.74) HDAC6HDAC1HSD17B2HSD17B1HDAC4
SCHEMBL2247416 0.84 HDAC6 (0.72) HDAC6HSD17B2HSD17B1
SCHEMBL5613367 0.83 HDAC6 (0.71) HDAC6HSD17B2HSD17B1
SCHEMBL3094688 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC4
SCHEMBL12663202 0.82 HDAC6 (0.69) HDAC6HDAC1HSD17B2HSD17B1HDAC4
SCHEMBL23779 0.81 HSD17B2 (0.67) HDAC6HSD17B2HSD17B1
SCHEMBL23361 0.80 HDAC6 (0.66) HDAC6HSD17B2HSD17B1
SCHEMBL3100934 0.79 HDAC6 (0.75) HDAC6HDAC1HDAC4
SCHEMBL18832307 0.78 HDAC6 (0.64) HDAC6HSD17B2HSD17B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
US-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 US disclosed
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 HDAC6 10/4885HDAC1 1/4885HSD17B2 186/4885

“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.