SCHEMBL4187262

SCHEMBL4187262

CC(C)(C)OC(=O)C1(C#N)CC1.N=S(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL19332413 0.91 CTSL (0.36) CTSLCTSK
SCHEMBL782800 0.84 CTSK (0.38) CTSLCTSK
SCHEMBL15268592 0.79 CTSL (0.33) CTSLCTSK
SCHEMBL1973582 0.79 USP2 (0.39) CTSLCTSK
SCHEMBL16427727 0.78 CTSL (0.32) CTSLCTSK
SCHEMBL16427906 0.77 CTSL (0.32) CTSLCTSK
SCHEMBL2780424 0.76 CYP4F2 (0.36) CTSLCTSK
SCHEMBL4180966 0.73 DGAT1 (0.32)
SCHEMBL4214456 0.70 DGAT1 (0.36)
SCHEMBL4193423 0.70 CYP4F2 (0.40)

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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 CTSL 24/4885CTSK 88/4885

“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.