SCHEMBL2203145

SCHEMBL2203145

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CC[N+](OC(=O)C(F)(F)F)(c2cc3ccccc3cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.46
CYP2C9 P11712 3/20 0.46
HDAC1 Q13547 8/20 0.44
HDAC4 P56524 4/20 0.44
HDAC3 O15379 4/20 0.41
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL2202316 0.85 HDAC6 (0.44) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2201554 0.78 HDAC6 (0.57) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2204260 0.78 HDAC6 (0.47) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2203310 0.77 HDAC6 (0.63) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2202888 0.76 HDAC6 (0.43) HDAC6CYP2C9HDAC1HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL2203143 0.76 HDAC6 (0.54) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2202584 0.76 HDAC6 (0.54) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL4773099 0.75 HDAC6 (0.46) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2200427 0.74 HDAC6 (0.55) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2202455 0.73 HDAC6 (0.43) HDAC6CYP2C9HDAC1HDAC4HDAC3

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.