SCHEMBL5092491

SCHEMBL5092491

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2cn(C)cn2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.44
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
SLC6A9 P48067 3/20 0.42
CACNA1B Q00975 1/20 0.42
MAPT P10636 1/20 0.39
GRM2 Q14416 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
SCHEMBL4686499 0.84 CTSK (0.49) CACNA1B
SCHEMBL5971807 0.84 CTSK (0.49) CACNA1B
SCHEMBL5105362 0.82 CACNA1B (0.40) LMNACACNA1B
SCHEMBL3427959 0.82 CTSK (0.49) TP53POLBLMNAMMP3MMP9
SCHEMBL5092485 0.82 TP53 (0.47) TP53POLBLMNAMMP3MMP9
SCHEMBL5105253 0.81 CACNA1B (0.45) LMNACACNA1BMAPT
SCHEMBL5098782 0.81 CACNA1B (0.53) LMNACACNA1B
SCHEMBL7427967 0.81 CACNA1B (0.53) LMNACACNA1B
SCHEMBL7489396 0.79 CTSK (0.61)
SCHEMBL5096614 0.79 CACNA1B (0.42) TP53LMNACACNA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ TP53 114/4885POLB 3510/4885LMNA 2800/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE TP53 284/4885POLB 3793/4885LMNA 3527/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ TP53 114/4885POLB 3510/4885LMNA 2800/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ TP53 114/4885POLB 3510/4885LMNA 2800/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ TP53 114/4885POLB 3510/4885LMNA 2800/4885

“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.