SCHEMBL6766533

SCHEMBL6766533

CC(C)CCC(=O)N1CCCC(NC(=O)C[C@@H](C)CC(N)=O)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSL P07711 4/20 0.36
CTSS P25774 3/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PLA2G1B P04054 1/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CTSB P07858 2/20 0.30
PREP P48147 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6767247 0.90 CTSK (0.36) CTSKCTSLCTSSCNR1CNR2
SCHEMBL7480516 0.87 CTSK (0.41) CTSKCTSLCTSSCNR1CNR2
SCHEMBL5092902 0.79 CTSK (0.45) CTSKCTSLCTSSCNR1CNR2
SCHEMBL5092894 0.78 CTSK (0.35) CTSKCTSLCTSSCNR1CNR2
SCHEMBL5105797 0.78 CTSK (0.38) CTSKCTSLCTSSCNR1CNR2
SCHEMBL7451271 0.73 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL7455803 0.72 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL7565531 0.72 SIGMAR1 (0.43) CTSKCTSLCTSS
SCHEMBL7565521 0.72 SIGMAR1 (0.43) CTSKCTSLCTSS
SCHEMBL6765207 0.71 CYP3A4 (0.45) CTSKPOLBKMT2A

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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.