Sugi Predict

Sugi Predict / Compounds / SCHEMBL5099722

SCHEMBL5099722

SCHEMBL5099722

CC(C)C[C@H](N)C(=O)NC1CCCN(Cc2csc(N3CCOCC3)n2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1L O00429 6/20 0.42
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSK P43235 6/20 0.35
▸ CTSL P07711 3/20 0.35
▸ CTSS P25774 3/20 0.35
▸ CTSB P07858 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5099710 0.83 DNM1L (0.39) DNM1LLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL5092925 0.77 KMT2A (0.45) LMNASMN1; SMN2CTSKCTSLCTSS
SCHEMBL5096711 0.77 ALDH1A1 (0.43) SMN1; SMN2CTSKCTSLCTSSCTSB
SCHEMBL6403094 0.76 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4687332 0.74 CTSK (0.51) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6405643 0.73 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099669 0.73 LMNA (0.40) LMNACTSKCTSLCTSSCTSB
SCHEMBL5138559 0.73 KAT2B (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099694 0.73 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6236079 0.72 CTSK (0.42) SMN1; SMN2CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 — — US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 — — US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 — — US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US claimed
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
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 DNM1L 1683/4885LMNA 2800/4885SMN1; SMN2 4669/4885
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 DNM1L 1599/4885LMNA 3527/4885SMN1; SMN2 4769/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885LMNA 2800/4885SMN1; SMN2 4669/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885LMNA 2800/4885SMN1; SMN2 4669/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885LMNA 2800/4885SMN1; SMN2 4669/4885

“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.