SCHEMBL2204688

SCHEMBL2204688

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(c2ccc[n+](OC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.59
CYP2C9 P11712 3/20 0.59
HDAC1 Q13547 5/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 3/20 0.40
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
RECQL P46063 2/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL17707644 0.74 HDAC6 (1.00) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL17707591 0.74 HDAC6 (0.63) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL17707641 0.73 HDAC6 (0.78) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL2204300 0.72 HDAC6 (0.64) HDAC6CYP2C9HDAC1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL2203304 0.72 HDAC6 (0.94) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL2204436 0.72 HDAC6 (0.43) HDAC6CYP2C9HDAC1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL2204680 0.72 HDAC6 (0.60) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL17707626 0.70 CYP2C9 (0.64) HDAC6CYP2C9HDAC1MAPTKMT2A
SCHEMBL2202856 0.70 HDAC6 (0.58) HDAC6CYP2C9HDAC1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL2202581 0.70 HDAC6 (0.73) HDAC6CYP2C9HDAC1MAPTKMT2A

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 6/4885CYP2C9 2067/4885HDAC1 1/4885

“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.