SCHEMBL6225501

SCHEMBL6225501

CC(C)(C)OC(=O)NC1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
PDE4B Q07343 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
BACE1 P56817 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
RET P07949 4/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
MDM2 Q00987 1/20 0.38
ACKR3 P25106 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL5435274 0.89 F10 (0.43) USP30PDE4BTLR2TLR1BACE1
SCHEMBL5435277 0.89 F10 (0.43) USP30PDE4BTLR2TLR1BACE1
SCHEMBL29123195 0.87 CA1 (0.52) USP30CA1CA2KMT2AL3MBTL1
SCHEMBL29860886 0.87 CA1 (0.52) USP30CA1CA2KMT2AL3MBTL1
SCHEMBL2952653 0.87 CA1 (0.52) USP30CA1CA2KMT2AL3MBTL1
SCHEMBL14145058 0.83 PDE4B (0.54) USP30PDE4BKMT2AL3MBTL1
SCHEMBL14131844 0.83 PDE4B (0.54) USP30PDE4BKMT2AL3MBTL1
SCHEMBL4791190 0.83 PDE4B (0.54) USP30PDE4BKMT2AL3MBTL1
SCHEMBL3489490 0.83 HSD11B1 (0.50) USP30CA1CA2
SCHEMBL12164667 0.82 BACE1 (0.44) USP30TLR2TLR1BACE1KMT2A

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-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP disclosed
US-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 US disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 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-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ USP30 990/4885PDE4B 1707/4885TLR2 4215/4885

“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.