SCHEMBL4835668

SCHEMBL4835668

CCC(C)(C)CC[C@@H](N)C(=O)NC1(C#N)CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.63
CTSK P43235 12/20 0.46
CTSB P07858 10/20 0.46
CTSL P07711 3/20 0.40
CTSC P53634 2/20 0.38

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
SCHEMBL4834550 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLCTSC
SCHEMBL4838374 0.90 CTSS (0.52) CTSSCTSKCTSBCTSLCTSC
SCHEMBL6062590 0.90 CTSS (0.52) CTSSCTSKCTSBCTSLCTSC
SCHEMBL4831977 0.85 CTSS (0.48) CTSSCTSKCTSBCTSLCTSC
SCHEMBL7070923 0.83 CTSS (0.46) CTSSCTSKCTSBCTSLCTSC
SCHEMBL5368724 0.82 CTSS (0.53) CTSSCTSKCTSBCTSLCTSC
Hydrochloric Acid SCHEMBL6095937 0.81 CTSS (0.52) CTSSCTSKCTSBCTSLCTSC
SCHEMBL4840219 0.81 CTSS (0.43) CTSSCTSKCTSBCTSLCTSC
SCHEMBL4836327 0.80 CTSS (0.69) CTSSCTSKCTSBCTSL
SCHEMBL11889813 0.80 CTSS (0.62) CTSSCTSKCTSBCTSLCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSS 1/4885CTSK 7/4885CTSB 2/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSS 1/4885CTSK 7/4885CTSB 2/4885

“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.