SCHEMBL5350193

SCHEMBL5350193

CCCCOC(=O)NC(COCc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.58
TAOK3 Q9H2K8 1/20 0.58
SIRT2 Q8IXJ6 13/20 0.56
SIRT1 Q96EB6 12/20 0.56
SIRT3 Q9NTG7 3/20 0.56
S1PR1 P21453 1/20 0.53
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
SIRT5 Q9NXA8 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL7766101 0.87 PPARA (0.59) TAOK1TAOK3SIRT2SIRT1CTSL
SCHEMBL1447017 0.87 PPARA (0.59) TAOK1TAOK3SIRT2SIRT1CTSL
SCHEMBL7104052 0.81 CTSS (0.72) S1PR1HDAC8HDAC3HDAC4HDAC1
SCHEMBL15569270 0.80 CTSS (0.57) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7766094 0.79 CTSL (0.50) SIRT2SIRT1CTSLCTSS
SCHEMBL15156902 0.79 SIRT2 (0.54) SIRT2SIRT1CTSLCTSS
SCHEMBL7766108 0.79 CTSL (0.50) SIRT2SIRT1CTSLCTSS
SCHEMBL13911921 0.78 CTSK (0.58) CTSLCTSS
SCHEMBL31030159 0.78 CTSK (0.48) TAOK1TAOK3CTSLCTSS
SCHEMBL1375817 0.78 S1PR1 (0.64) TAOK1TAOK3S1PR1HDAC8HDAC3

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-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A TAOK1 837/4885TAOK3 797/4885SIRT2 3468/4885

“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.