SCHEMBL4166649

SCHEMBL4166649

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCC(O)c1ccccc1)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CES1 P23141 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BCAT2 O15382 1/20 0.32
CTSB P07858 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PADI4 Q9UM07 1/20 0.31
PADI2 Q9Y2J8 1/20 0.31
C3AR1 Q16581 1/20 0.31
NPY1R P25929 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL4159834 0.82 EPHX2 (0.43) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4158065 0.80 CES1 (0.45) HDAC1HDAC2CES1BCAT2CTSB
SCHEMBL4161122 0.79 NPC1 (0.46) HDAC1HDAC2CES1NPC1RAB9A
SCHEMBL4162559 0.77 ALDH1A1 (0.41) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4158022 0.77 HDAC1 (0.38) HDAC1HDAC2CES1NPC1RAB9A
SCHEMBL4159163 0.76 CES1 (0.45) HDAC1HDAC2CES1RAB9ATAAR1
SCHEMBL4166651 0.73 HDAC1 (0.36) HDAC1HDAC2CES1
SCHEMBL4620748 0.72 LMNA (0.40) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4159674 0.71 HDAC1 (0.42) HDAC1HDAC2CES1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4149911 0.70 SIRT2 (0.35) HDAC1HDAC2CES1MCHR1

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 HDAC1 2/4885HDAC2 7/4885CES1 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.