SCHEMBL4156447

SCHEMBL4156447

NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.59
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FAAH O00519 7/20 0.40
PADI1 Q9ULC6 4/20 0.38
PADI4 Q9UM07 4/20 0.38
PADI3 Q9ULW8 3/20 0.38
PADI2 Q9Y2J8 3/20 0.38
GGT1 P19440 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CPA1 P15085 1/20 0.37
MLYCD O95822 1/20 0.37
CES2 O00748 2/20 0.36
PLA2G6 O60733 1/20 0.36
CTSK P43235 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
SCHEMBL4163608 0.85 CES1 (0.54) CES1HDAC1HDAC2FAAHGGT1
SCHEMBL4166891 0.82 CES1 (0.52) CES1HDAC1HDAC2PADI1PADI4
Trifluoroacetic Acid SCHEMBL4304780 0.81 CES1 (0.50) CES1HDAC1HDAC2PADI1PADI4
SCHEMBL4156445 0.80 CES1 (0.59) CES1HDAC1HDAC2FAAHMLYCD
SCHEMBL375538 0.78 CYP3A4 (0.43) HDAC1GGT1MLYCD
SCHEMBL4159163 0.78 CES1 (0.45) CES1HDAC1HDAC2FAAHGGT1
Hydrochloric Acid SCHEMBL374901 0.77 CYP3A4 (0.42) HDAC1GGT1MLYCD
SCHEMBL30882671 0.76 OPRK1 (0.49) GGT1
SCHEMBL30882505 0.76 OPRK1 (0.49) GGT1
Trifluoroacetic Acid SCHEMBL4150080 0.76 CES1 (0.43) CES1HDAC1HDAC2

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 CES1 1925/4885HDAC1 2/4885HDAC2 7/4885

“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.