Sugi Predict

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SCHEMBL5105404

SCHEMBL5105404

CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL14131623 1.00 ALOX5AP (0.42) ALOX5APFEN1BTKGAAALDH1A1
SCHEMBL6625876 0.93 ALOX5AP (0.39) ALOX5APFEN1BTKGAAALDH1A1
SCHEMBL6835425 0.87 ALOX5AP (0.36) ALOX5APFEN1BTKGAAALDH1A1
SCHEMBL6740612 0.86 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL6740606 0.86 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL5093198 0.85 MMP2 (0.43) CTSKCTSLCTSS
SCHEMBL6806160 0.85 CTSL (0.49) CTSKCTSLCTSS
SCHEMBL6806158 0.85 CTSL (0.49) CTSKCTSLCTSS
SCHEMBL5093192 0.85 MMP2 (0.43) CTSKCTSLCTSS
SCHEMBL5096565 0.85 CTSK (0.44) CTSKCTSLCTSS

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 16 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-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 — — US disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 — — EP disclosed
US-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells SMITHKLINE BEECHAM CORPORATION 2004-02-19 — — US 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
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 — — 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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 — — EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 — — EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — 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 (8 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF ALOX5AP 620/4885FEN1 1414/4885BTK 1997/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ ALOX5AP 1580/4885FEN1 1691/4885BTK 2900/4885
US-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells CTSE, CTSZ, CTSS ALOX5AP 567/4885FEN1 3537/4885BTK 4138/4885
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 ALOX5AP 1946/4885FEN1 3244/4885BTK 2950/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALOX5AP 1580/4885FEN1 1691/4885BTK 2900/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF ALOX5AP 620/4885FEN1 1414/4885BTK 1997/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ALOX5AP 1580/4885FEN1 1691/4885BTK 2900/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ALOX5AP 1580/4885FEN1 1691/4885BTK 2900/4885

“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.