Sugi Predict

Sugi Predict / Compounds / SCHEMBL6801562

SCHEMBL6801562

SCHEMBL6801562

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C(=O)c1ncc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.62
▸ CTSB P07858 4/20 0.57
▸ CTSK P43235 4/20 0.57
▸ CTSL P07711 3/20 0.57
▸ CTSH P09668 1/20 0.57
▸ CTSC P53634 1/20 0.57
▸ PSMB5 P28074 5/20 0.48
▸ PSMB11 A5LHX3 2/20 0.48
▸ PSMA7 O14818 2/20 0.48
▸ PSMB1 P20618 2/20 0.48
▸ PSMA1 P25786 2/20 0.48
▸ PSMA2 P25787 2/20 0.48
▸ PSMA3 P25788 2/20 0.48
▸ PSMA4 P25789 2/20 0.48
▸ PSMB8 P28062 2/20 0.48
▸ PSMB9 P28065 2/20 0.48
▸ PSMA5 P28066 2/20 0.48
▸ PSMB4 P28070 2/20 0.48
▸ PSMB6 P28072 2/20 0.48
▸ PSMB10 P40306 2/20 0.48

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
SCHEMBL6801566 1.00 CTSS (0.62) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801286 0.82 CTSS (0.63) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801291 0.82 CTSS (0.63) CTSSCTSBCTSKCTSLCTSH
SCHEMBL7134732 0.81 CTSS (0.72) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801801 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6802848 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL7030257 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6795802 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6807038 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801803 0.79 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 — — US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885CTSB 2/4885CTSK 4/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885CTSB 2/4885CTSK 4/4885

“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.