SCHEMBL5092941

SCHEMBL5092941

CC(C)C[C@H](N)C(=O)NC1CCCN(C(=O)Nc2ccccc2F)CC1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.44
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 3/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.39
CCR3 P51677 1/20 0.39
CACNA1B Q00975 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL5099671 0.83 CTSK (0.47) RAB9AGAAKDM4EEPHX2MAPT
SCHEMBL4790449 0.82 CTSK (0.51) RAB9AGAACTSKNPC1KMT2A
SCHEMBL4790450 0.82 CTSK (0.51) RAB9AGAACTSKNPC1KMT2A
SCHEMBL5105564 0.82 CTSK (0.47) LMNACTSKKMT2ACACNA1B
SCHEMBL5096687 0.82 CTSK (0.47) LMNACTSKKMT2ACACNA1B
SCHEMBL5096694 0.82 CTSK (0.47) LMNACTSKKMT2ACACNA1B
SCHEMBL5092936 0.81 RAB9A (0.45) RAB9AGAAKDM4EEPHX2MAPT
SCHEMBL5096613 0.79 CTSK (0.41) GAACTSKKMT2ACACNA1B
SCHEMBL5096619 0.79 CTSK (0.41) GAACTSKKMT2ACACNA1B
SCHEMBL5093149 0.78 CTSK (0.60) RAB9ACTSKNPC1KMT2A

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-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
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
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 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 (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 RAB9A 1322/4885GAA 71/4885KDM4E 917/4885
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 RAB9A 2214/4885GAA 61/4885KDM4E 875/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ RAB9A 1322/4885GAA 71/4885KDM4E 917/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ RAB9A 1322/4885GAA 71/4885KDM4E 917/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ RAB9A 1322/4885GAA 71/4885KDM4E 917/4885

“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.