SCHEMBL3104336

SCHEMBL3104336

O=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.60
HSD17B2 P37059 2/20 0.60
HDAC6 Q9UBN7 15/20 0.55
HDAC1 Q13547 9/20 0.55
MAPT P10636 1/20 0.53
HDAC4 P56524 6/20 0.45
MAP3K8 P41279 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL6414215 0.85 HSD17B1 (0.60) HSD17B1HSD17B2HDAC6MAPTMAP3K8
SCHEMBL1647714 0.80 HSD17B1 (0.56) HSD17B1HSD17B2HDAC6MAPTMAP3K8
SCHEMBL23091177 0.77 HSD17B1 (0.53) HSD17B1HSD17B2HDAC6HDAC1MAPT
SCHEMBL30501674 0.77 HSD17B1 (0.53) HSD17B1HSD17B2HDAC6HDAC1MAPT
SCHEMBL30910 0.75 HSD17B1 (0.67) HSD17B1HSD17B2
SCHEMBL18186525 0.75 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL20764039 0.74 ESRRG (0.67) HSD17B1HSD17B2MAPT
SCHEMBL2947309 0.73 F2 (0.53) HDAC6MAPT
SCHEMBL15571292 0.72 MAPT (0.58) HSD17B1HSD17B2HDAC6MAPT
SCHEMBL3088708 0.72 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 HSD17B1 54/4885HSD17B2 186/4885HDAC6 10/4885

“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.