SCHEMBL2201189

SCHEMBL2201189

COc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)F)s2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.71
HDAC6 Q9UBN7 4/20 0.71
HDAC3 O15379 3/20 0.71
HDAC4 P56524 3/20 0.71
POLB P06746 1/20 0.54
EPHX2 P34913 6/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL2229502 0.86 HDAC1 (0.68) HDAC1HDAC6HDAC3HDAC4EPHX2
SCHEMBL22870138 0.83 KMT2A (0.63) HDAC1HDAC6HDAC3HDAC4POLB
SCHEMBL2200725 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4EPHX2
SCHEMBL2229969 0.81 HDAC6 (0.74) HDAC1HDAC6HDAC3HDAC4ALDH1A1
SCHEMBL28166824 0.80 APLNR (0.58) POLBEPHX2ALDH1A1TAS1R3TAS1R1
SCHEMBL2203317 0.80 HDAC6 (0.65) HDAC1HDAC6HDAC3HDAC4HPGD
SCHEMBL16761123 0.78 EPHX2 (0.61) HDAC1HDAC6HDAC3HDAC4POLB
SCHEMBL29088354 0.78 MAPT (0.52) POLBEPHX2MAOBALDH1A1TAS1R3
SCHEMBL22870276 0.78 MAPT (0.52) POLBEPHX2MAOBALDH1A1TAS1R3
SCHEMBL26625783 0.78 MAPT (0.52) POLBEPHX2MAOBALDH1A1TAS1R3

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 6/4885HDAC3 9/4885

“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.