SCHEMBL6604451

SCHEMBL6604451

CC(C)(C)OC(=O)NC1(C(=O)NC2CCCN(C(=O)OCc3ccccc3)CC2O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSL P07711 5/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 6/20 0.44
PDE4B Q07343 1/20 0.44
HSD11B1 P28845 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
USP30 Q70CQ3 1/20 0.40
PARP1 P09874 1/20 0.40
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14131844 0.87 PDE4B (0.54) CTSLCTSKPDE4BITGB3ITGA2B
SCHEMBL4791190 0.87 PDE4B (0.54) CTSLCTSKPDE4BITGB3ITGA2B
SCHEMBL14145058 0.87 PDE4B (0.54) CTSLCTSKPDE4BITGB3ITGA2B
SCHEMBL6600419 0.86 CTSK (0.44) CTSSCTSLCTSBCTSKPDE4B
SCHEMBL6600917 0.83 CTSS (0.45) CTSSCTSLCTSBCTSKPDE4B
SCHEMBL3218733 0.81 CTSK (0.56) CTSLCTSKPDE4BHSD11B1KMT2A
SCHEMBL3218744 0.81 CTSK (0.56) CTSLCTSKPDE4BHSD11B1KMT2A
SCHEMBL3218754 0.81 CTSK (0.56) CTSLCTSKPDE4BHSD11B1KMT2A
SCHEMBL376621 0.81 CTSK (0.56) CTSLCTSKPDE4BHSD11B1KMT2A
SCHEMBL2448494 0.81 CTSK (0.56) CTSLCTSKPDE4BHSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP disclosed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
US-20040038965-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 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-20040038965-A1 Protease inhibitors CTSK, CTSZ, CTSE CTSS 6/4885CTSL 14/4885CTSB 12/4885

“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.