SCHEMBL5351397

SCHEMBL5351397

COC1CCC(CN(SC)C(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
AAK1 Q2M2I8 2/20 0.41
CACNA1B Q00975 6/20 0.40
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
REN P00797 3/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSH P09668 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL1868644 0.77 CTSK (0.62) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL1868648 0.77 CTSK (0.62) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL25348435 0.76 CTSK (0.59) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL3611760 0.76 CTSK (0.59) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL3611757 0.76 CTSK (0.59) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL16119292 0.75 CTSK (0.57) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL1424546 0.74 CTSK (0.65) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL21427217 0.74 CTSK (0.65) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL21119399 0.74 CTSK (0.65) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL23118362 0.74 CTSK (0.65) CTSKCTSSAAK1CACNA1BHDAC4

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 CTSK 3691/4885CTSS 1885/4885AAK1 2078/4885

“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.