SCHEMBL4831977

SCHEMBL4831977

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.48
CTSL P07711 5/20 0.35
CTSK P43235 10/20 0.35
CTSB P07858 8/20 0.35
CTSC P53634 2/20 0.33
HTR4 Q13639 2/20 0.33
KCNH2 Q12809 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL4838374 0.88 CTSS (0.52) CTSSCTSLCTSKCTSBCTSC
SCHEMBL6062590 0.88 CTSS (0.52) CTSSCTSLCTSKCTSBCTSC
SCHEMBL4835668 0.85 CTSS (0.63) CTSSCTSLCTSKCTSBCTSC
SCHEMBL4834550 0.85 CTSS (0.63) CTSSCTSLCTSKCTSBCTSC
SCHEMBL13985857 0.81 CTSS (0.77) CTSSCTSLCTSKCTSB
SCHEMBL13985859 0.81 CTSS (0.77) CTSSCTSLCTSKCTSB
SCHEMBL7072668 0.75 CTSS (0.41) CTSSCTSLCTSKCTSBCTSC
SCHEMBL7076976 0.74 CTSS (0.40) CTSSCTSLCTSKCTSBCTSC
SCHEMBL7078199 0.74 CTSS (0.40) CTSSCTSLCTSKCTSBCTSC
SCHEMBL5357550 0.73 CTSS (0.42) CTSSCTSLCTSKCTSBCTSC

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 2 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-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 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 (1 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-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSS 1/4885CTSL 10/4885CTSK 7/4885

“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.