SCHEMBL1475896

SCHEMBL1475896

COC1(OC)CO[C@H]2[C@@H]1N(C(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c3nc(N4CCN(C)CC4)sc3C)cc1)C[C@@H]2F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.56
CTSS P25774 11/20 0.56
CTSL P07711 9/20 0.56

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
SCHEMBL3162307 1.00 CTSK (0.56) CTSKCTSSCTSL
SCHEMBL8109742 0.92 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL8107408 0.92 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4725616 0.88 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL18966303 0.85 CTSK (0.74) CTSKCTSSCTSL
SCHEMBL11925985 0.85 CTSK (0.74) CTSKCTSSCTSL
SCHEMBL21137447 0.85 CTSK (0.74) CTSKCTSSCTSL
SCHEMBL11925967 0.84 CTSK (0.74) CTSKCTSSCTSL
SCHEMBL13450285 0.84 CTSK (0.72) CTSKCTSSCTSL
SCHEMBL3167097 0.84 CTSK (0.72) CTSKCTSSCTSL

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 7 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-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
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-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
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 3/4885CTSS 1/4885CTSL 10/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CTSK 3/4885CTSS 1/4885CTSL 11/4885

“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.