SCHEMBL4315852

SCHEMBL4315852

CC1CC(NC(=O)[CH]CC(C)C(N)=O)[C@@H](O)CN(S(=O)(=O)c2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.42
CTSK P43235 16/20 0.42
CTSS P25774 12/20 0.42
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
CTSB P07858 4/20 0.35
ELOVL6 Q9H5J4 1/20 0.34
CTSV O60911 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4319060 1.00 CTSL (0.42) CTSLCTSKCTSSTSHRGFER
SCHEMBL4309331 1.00 CTSL (0.42) CTSLCTSKCTSSTSHRGFER
SCHEMBL4312275 1.00 CTSL (0.42) CTSLCTSKCTSSTSHRGFER
SCHEMBL4693518 0.86 CTSK (0.41) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5105298 0.85 CTSK (0.34) CTSLCTSKCTSSCTSBELOVL6
SCHEMBL4316610 0.84 CTSK (0.55) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4310542 0.84 CTSK (0.55) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5096633 0.84 CTSK (0.55) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4319067 0.84 CTSK (0.40) CTSLCTSKCTSSCTSBELOVL6
SCHEMBL4314724 0.84 CTSK (0.40) CTSLCTSKCTSSCTSBELOVL6

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 2/4885CTSK 1/4885CTSS 4/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSL 11/4885CTSK 1/4885CTSS 5/4885

“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.