SCHEMBL2205341

SCHEMBL2205341

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CC[N+](OC(=O)C(F)(F)F)(c2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.39
HDAC1 Q13547 11/20 0.39
HDAC4 P56524 10/20 0.39
HDAC3 O15379 9/20 0.39
CYP2C9 P11712 4/20 0.36
TACR1 P25103 3/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL17707648 0.73 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202003 0.72 HDAC6 (0.41) HDAC6HDAC1HDAC4HDAC3CYP2C9
Trifluoroacetic Acid SCHEMBL2205337 0.72 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2201904 0.70 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2206274 0.69 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2204260 0.69 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202584 0.69 HDAC6 (0.54) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2202464 0.68 CYP2C9 (0.62) HDAC6HDAC1HDAC3CYP2C9CYP2C19
SCHEMBL2202316 0.68 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL2203310 0.68 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3CYP2C9

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 1/4885HDAC4 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.