SCHEMBL2230877

SCHEMBL2230877

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.75
HDAC6 Q9UBN7 6/20 0.75
HDAC4 P56524 5/20 0.59
HDAC3 O15379 4/20 0.59
EPHX2 P34913 12/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
NLRP1 Q9C000 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL2199715 0.88 HDAC1 (0.60) HDAC1HDAC6HDAC4HDAC3
SCHEMBL2202013 0.86 HDAC1 (1.00) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2232011 0.83 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC3LMNA
SCHEMBL2202586 0.81 HDAC1 (0.72) HDAC1HDAC6HDAC4HDAC3EPHX2
SCHEMBL2202207 0.81 HDAC6 (0.50) HDAC1HDAC6HDAC4HDAC3
SCHEMBL16761409 0.80 EPHX2 (0.56) EPHX2LMNAMAPK1NLRP1TSHR
SCHEMBL25848883 0.78 LMNA (0.51) HDAC1HDAC6EPHX2LMNAMAPK1
SCHEMBL30392482 0.78 LMNA (0.51) HDAC1HDAC6EPHX2LMNAMAPK1
SCHEMBL25303214 0.77 LMNA (0.53) HDAC1HDAC6EPHX2LMNAMAPK1
SCHEMBL30393345 0.76 EPHX2 (0.49) HDAC1HDAC6EPHX2LMNAMAPK1

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 HDAC1 1/4885HDAC6 6/4885HDAC4 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.