SCHEMBL4310118

SCHEMBL4310118

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(C)CCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.51
CTSK P43235 17/20 0.51
CTSB P07858 4/20 0.51
CTSS P25774 13/20 0.47
CTSV O60911 2/20 0.45
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL4310123 1.00 CTSL (0.51) CTSLCTSKCTSBCTSSCTSV
SCHEMBL6740606 0.88 CTSK (0.52) CTSLCTSKCTSBCTSSCTSV
SCHEMBL6740612 0.88 CTSK (0.52) CTSLCTSKCTSBCTSSCTSV
SCHEMBL13784247 0.85 CTSK (0.51) CTSLCTSKCTSBCTSSCTSV
SCHEMBL4312368 0.85 CTSK (0.51) CTSLCTSKCTSBCTSSCTSV
SCHEMBL6243092 0.85 CTSK (0.51) CTSLCTSKCTSBCTSSCTSV
SCHEMBL4312366 0.85 CTSK (0.51) CTSLCTSKCTSBCTSSCTSV
SCHEMBL4322478 0.84 CTSL (0.48) CTSLCTSKCTSBCTSSCTSV
SCHEMBL13784253 0.82 CTSK (0.52) CTSLCTSKCTSBCTSSCTSV
SCHEMBL13784250 0.82 CTSK (0.52) CTSLCTSKCTSBCTSSCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSL 2/4885CTSK 1/4885CTSB 11/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSL 11/4885CTSK 1/4885CTSB 14/4885

“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.