SCHEMBL4316698

SCHEMBL4316698

C[C@@H]1CC[C@H](NC(=O)[CH]C[C@H](C)C(N)=O)C(=O)CN1C(=O)N1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
LIPE Q05469 1/20 0.32
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6237786 0.81 CTSL (0.39) CTSLCTSSCTSKSMN1; SMN2
SCHEMBL5948841 0.80 PKM (0.30) LIPEPKMSMN1; SMN2
SCHEMBL4316707 0.80 CTSS (0.40) CTSLCTSSCTSKLIPE
SCHEMBL4319020 0.77 CTSK (0.34) CTSLCTSSCTSK
SCHEMBL4310035 0.76
SCHEMBL6236069 0.76 SMN1; SMN2 (0.38) CTSLCTSSCTSKSMN1; SMN2
SCHEMBL4049895 0.74 CTSK (0.32) CTSKLIPE
SCHEMBL6391925 0.73
SCHEMBL6204157 0.73 BTK (0.30)
SCHEMBL6204673 0.73 BTK (0.30)

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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
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 2/4885CTSS 4/4885CTSK 1/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSL 11/4885CTSS 5/4885CTSK 1/4885

“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.