SCHEMBL2200875

SCHEMBL2200875

NS(=O)(=O)c1sccc1C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK8 P45983 6/20 0.35
CES1 P23141 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 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
SCHEMBL10847652 0.79 PTGS1 (0.32) CA1CA2CA9CA12MAPT
SCHEMBL10847649 0.79 PTGS1 (0.32) CA1CA2CA9CA12MAPT
SCHEMBL11723057 0.77 MEN1 (0.43) CA1CA2CA9CA12MAPT
SCHEMBL3585261 0.76 CA2 (0.42) CA1CA2CA9CA12MAPT
SCHEMBL1291053 0.73 ALDH1A1 (0.46) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL10849180 0.71 MEN1 (0.32) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL10849188 0.71 MEN1 (0.32) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL10493783 0.71 ALDH1A1 (0.38) CA1CA2CA9CA12MAPT
SCHEMBL1559973 0.71 GSK3B (0.38) CA1CA2CA9CA12MAPT
SCHEMBL4654151 0.70 KDM4E (0.45) MAPK1MEN1ALDH1A1KMT2ACES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 1504/4885CA2 2437/4885CA9 1866/4885

“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.