SCHEMBL4169539

SCHEMBL4169539

CN(C)C(OC(=O)C(F)(F)F)C(=O)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
USP2 O75604 4/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN7 P35236 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MLYCD O95822 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
EIF4H Q15056 1/20 0.37
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4169533 0.82 MAPT (0.41) MAPTUSP2ALDH1A1HPGDHSD17B10
SCHEMBL4606734 0.79 NPY1R (0.46) MAPTALDH1A1HPGDHSD17B10POLB
SCHEMBL4166940 0.77 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL4163977 0.77 MLYCD (0.46) MAPTALDH1A1HPGDHSD17B10POLB
SCHEMBL4158024 0.73 HDAC1 (0.38)
SCHEMBL4607677 0.71 HPGD (0.62) MAPTALDH1A1HPGDHSD17B10POLB
SCHEMBL4607673 0.70 ALDH1A1 (0.50) MAPTALDH1A1HPGDHSD17B10POLB
Trifluoroacetic Acid SCHEMBL4158022 0.64 HDAC1 (0.38) RAB9A
SCHEMBL31646460 0.64 EPHX2 (0.53) MAPTUSP2ALDH1A1HPGDHSD17B10
SCHEMBL4162818 0.62 CES1 (0.43) MAPTUSP2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 MAPT 996/4885USP2 3960/4885ALDH1A1 320/4885

“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.