SCHEMBL4166940

SCHEMBL4166940

CN(C)C(OC(=O)C(F)(F)F)C(=O)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CES1 P23141 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FABP4 P15090 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FAAH O00519 4/20 0.32
CES2 O00748 2/20 0.32
PLA2G6 O60733 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
Trifluoroacetic Acid SCHEMBL4166937 0.82 FABP4 (0.36) ALDH1A1GAACES1MEN1KMT2A
SCHEMBL4169539 0.77 MAPT (0.41) ALDH1A1GAA
SCHEMBL4605614 0.77 CES1 (0.45) ALDH1A1GAACES1MEN1KMT2A
SCHEMBL4156708 0.77 CCKBR (0.34) CES1MEN1KMT2AHDAC1HDAC2
SCHEMBL4606348 0.76 POLB (0.39) CES1MEN1KMT2AFABP4HDAC1
SCHEMBL4164039 0.75 HDAC1 (0.41) ALDH1A1GAACES1MEN1KMT2A
SCHEMBL3507605 0.74 GPR139 (0.42) GAAMEN1KMT2AHDAC1HDAC2
SCHEMBL4159631 0.74 HDAC4 (0.47) ALDH1A1MEN1KMT2AHDAC1HDAC2
Trifluoroacetic Acid SCHEMBL4156514 0.74 SMN1; SMN2 (0.37) MEN1KMT2AHDAC1HDAC2
SCHEMBL4154125 0.73 PADI4 (0.41) ALDH1A1GAAMEN1KMT2AHDAC1

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 ALDH1A1 320/4885GAA 503/4885CES1 1925/4885

“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.