SCHEMBL6515531

SCHEMBL6515531

CC[C@@H]1COCC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.49
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL6512275 0.94 CTSK (0.48) CTSKPRMT5WDR77CTSLCTSS
SCHEMBL6990329 0.93 CTSK (0.43) CTSKPRMT5WDR77CTSLCTSS
SCHEMBL6510130 0.91 CTSK (0.51) CTSKPRMT5WDR77EPHX2
SCHEMBL6523396 0.91 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL5743413 0.87 CTSK (0.45) CTSKPRMT5WDR77CTSLCTSS
SCHEMBL6514508 0.85 CTSK (0.53) CTSKCTSLCTSS
SCHEMBL6511685 0.85 CTSK (0.51) CTSKCTSLCTSS
SCHEMBL6515480 0.82 CTSK (0.49) CTSKCTSLCTSS
SCHEMBL6518424 0.82 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6515438 0.82 CTSK (0.49) CTSKCTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CTSK 4/4885PRMT5 2569/4885WDR77 4213/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885PRMT5 2059/4885WDR77 4317/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885PRMT5 1991/4885WDR77 3299/4885

“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.