SCHEMBL12670331

SCHEMBL12670331

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.61
CTSL P07711 11/20 0.58
CTSS P25774 9/20 0.58
CTSB P07858 2/20 0.58
CTSV O60911 2/20 0.54

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
SCHEMBL7154653 0.86 CTSK (0.64) CTSKCTSLCTSSCTSV
SCHEMBL13677208 0.86 CTSK (0.64) CTSKCTSLCTSSCTSV
SCHEMBL4451492 0.86 CTSK (0.64) CTSKCTSLCTSSCTSV
SCHEMBL6807727 0.86 CTSK (0.64) CTSKCTSLCTSSCTSV
SCHEMBL4453013 0.84 CTSK (0.61) CTSKCTSLCTSSCTSV
SCHEMBL7200569 0.84 CTSK (0.61) CTSKCTSLCTSSCTSV
SCHEMBL13677249 0.84 CTSK (0.61) CTSKCTSLCTSSCTSV
SCHEMBL4451358 0.84 CTSK (0.61) CTSKCTSLCTSSCTSV
SCHEMBL12828388 0.84 CTSK (0.80) CTSKCTSLCTSSCTSV
SCHEMBL6808367 0.84 CTSK (0.80) CTSKCTSLCTSSCTSV

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-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 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 (2 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK CTSK 3/4885CTSL 10/4885CTSS 1/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CTSK 3/4885CTSL 11/4885CTSS 1/4885

“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.