SCHEMBL6846759

SCHEMBL6846759

CC1CCC(NC(=O)C(CC2CCCCC2)NC(=O)OC(C)(C)C)C(O)CN1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
REN P00797 11/20 0.38
SCN9A Q15858 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL6744511 1.00 CTSS (0.55) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL6213346 1.00 CTSS (0.55) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4324431 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4317181 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4317184 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4314582 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4324433 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4314585 0.85 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL5096660 0.84 CTSS (0.56) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL5949181 0.79 CTSK (0.50) CTSSCTSKHDAC4HDAC1HDAC6

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-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 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-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSS 1/4885CTSK 6/4885HDAC4 703/4885

“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.