SCHEMBL3098145

SCHEMBL3098145

COC(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.72
HDAC1 Q13547 11/20 0.69
HDAC4 P56524 8/20 0.49
HDAC3 O15379 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL3093971 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3090811 0.82 HDAC6 (0.77) HDAC6HDAC1HDAC4HDAC3SMN1; SMN2
SCHEMBL3080088 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3098329 0.78 HDAC6 (0.77) HDAC6HDAC1HDAC4HDAC3
SCHEMBL3198147 0.78 HSD17B2 (0.50) HDAC6SMN1; SMN2TP53KDM4ENPC1
SCHEMBL3195203 0.78 SMN1; SMN2 (0.48) HDAC6HDAC1SMN1; SMN2TP53KDM4E
SCHEMBL12426785 0.78 HDAC6 (0.68) HDAC6HDAC1HDAC4HDAC3HPGD
SCHEMBL22533041 0.78 MLYCD (0.54) KDM4EALDH1A1MAPT
SCHEMBL6477476 0.78 KDM4E (0.58) HDAC6HDAC1HDAC4HDAC3SMN1; SMN2
SCHEMBL3088708 0.77 HDAC6 (0.71) HDAC6HDAC1HDAC4HDAC3

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 1/4885HDAC4 2/4885

“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.