SCHEMBL2201378

SCHEMBL2201378

COCCNC(=O)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.68
HDAC6 Q9UBN7 12/20 0.68
HDAC4 P56524 9/20 0.68
HDAC3 O15379 10/20 0.63
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL1587865 0.81 HPGD (0.50) HDAC1HDAC6HDAC4ALDH1A1MAPK1
SCHEMBL2201108 0.81 HDAC6 (1.00) HDAC1HDAC6HDAC4HDAC3CYP2C9
SCHEMBL1587972 0.81 HPGD (0.50) HDAC1HDAC6HDAC4ALDH1A1MAPK1
SCHEMBL5327824 0.81 MAPK1 (0.51) ALDH1A1MAPK1KDM4EHPGDNPC1
SCHEMBL4776598 0.81 MAPK1 (0.68) HDAC1HDAC6HDAC4HDAC3ALDH1A1
SCHEMBL2204286 0.80 HDAC1 (0.78) HDAC1HDAC6HDAC4HDAC3ALDH1A1
SCHEMBL13154059 0.79 HDAC6 (0.72) HDAC1HDAC6HDAC4HDAC3CYP2C9
SCHEMBL12124264 0.78 POLB (0.61) ALDH1A1MAPK1KDM4EHPGDNPC1
Trifluoroacetic Acid SCHEMBL2200511 0.78 MAPK1 (0.63) HDAC1HDAC6HDAC4HDAC3ALDH1A1
SCHEMBL12265873 0.78 HPGD (0.50) ALDH1A1MAPK1KDM4EHPGDNPC1

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 6 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
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC6 6/4885HDAC4 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.