SCHEMBL2229969

SCHEMBL2229969

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

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.74
HDAC1 Q13547 6/20 0.74
HDAC3 O15379 4/20 0.74
HDAC4 P56524 4/20 0.74
MMP13 P45452 2/20 0.58
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APEX1 P27695 1/20 0.52
CYP2C9 P11712 1/20 0.52
TP53 P04637 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
SCHEMBL2200725 0.85 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC4HPGD
SCHEMBL4923598 0.85 MMP13 (0.64) MMP13HPGDALDH1A1KDM4EUSP2
SCHEMBL4928216 0.82 KMT2A (0.68) MMP13HPGDALDH1A1KDM4EUSP2
SCHEMBL2202586 0.82 HDAC1 (0.72) HDAC6HDAC1HDAC3HDAC4HPGD
SCHEMBL2201189 0.81 HDAC1 (0.71) HDAC6HDAC1HDAC3HDAC4HPGD
SCHEMBL17707613 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4CYP2C9
SCHEMBL2290270 0.81 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4
SCHEMBL12496063 0.81 MMP13 (0.61) MMP13HPGDALDH1A1KDM4EUSP2
SCHEMBL2203317 0.80 HDAC6 (0.65) HDAC6HDAC1HDAC3HDAC4HPGD
SCHEMBL2203242 0.79 HDAC1 (0.79) HDAC6HDAC1HDAC3HDAC4MMP13

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 4 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

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 HDAC6 6/4885HDAC1 1/4885HDAC3 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.