SCHEMBL2200435

SCHEMBL2200435

CC(=O)N1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.59
CYP2C9 P11712 3/20 0.59
HDAC1 Q13547 6/20 0.56
HDAC4 P56524 4/20 0.51
HDAC3 O15379 3/20 0.51
HPGD P15428 4/20 0.49
YEATS4 O95619 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MLYCD O95822 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17707597 0.81 L3MBTL3 (0.61) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2203217 0.81 HDAC6 (0.52) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2204285 0.79 HDAC6 (0.55) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL17707682 0.79 HDAC6 (0.59) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL17707579 0.78 HDAC6 (0.56) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL5721869 0.78 HDAC3 (0.54) HDAC6HDAC1HDAC4HDAC3HPGD
SCHEMBL17707628 0.78 HDAC6 (0.50) HDAC6CYP2C9HDAC1HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL2203749 0.78 L3MBTL1 (0.57) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL17707641 0.78 HDAC6 (0.78) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL17707606 0.78 HDAC6 (0.50) 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 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 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.