SCHEMBL6802825

SCHEMBL6802825

CC(C)C[C@H](N)C(=O)N[C@H](C#N)CCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.77
CTSS P25774 9/20 0.59
CTSL P07711 5/20 0.52
CTSK P43235 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CTSH P09668 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL5464894 0.87 CTSC (1.00) CTSCCTSSCTSLCTSKCYP1A2
SCHEMBL3869381 0.79 CTSC (0.67) CTSCCTSSCTSLCTSKCYP1A2
SCHEMBL6063126 0.79 CTSC (0.67) CTSCCTSSCTSL
SCHEMBL6627501 0.79 CTSC (0.67) CTSCCTSSCTSL
SCHEMBL6061898 0.79 CTSC (0.67) CTSCCTSSCTSL
SCHEMBL6063121 0.79 CTSC (0.67) CTSCCTSSCTSL
SCHEMBL3895384 0.78 CTSC (0.55) CTSCCTSSCTSLCTSK
SCHEMBL8863955 0.78 CTSC (0.59) CTSCCTSSCTSLCTSKCYP1A2
SCHEMBL6265571 0.78 CTSC (0.59) CTSCCTSSCTSLCTSKCYP1A2
SCHEMBL3497000 0.78 CTSC (0.59) CTSCCTSSCTSLCTSKCYP1A2

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 CTSC 13/4885CTSS 1/4885CTSL 12/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSC 13/4885CTSS 1/4885CTSL 12/4885

“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.