SCHEMBL5099710

SCHEMBL5099710

CC(C[CH]C(=O)N[C@H]1CCCN(Cc2csc(N3CCOCC3)n2)CC1=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 6/20 0.39
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 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
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5099722 0.83 DNM1L (0.42) DNM1LMAPTALDH1A1KDM4EGAA
SCHEMBL5092918 0.78 KMT2A (0.43) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL5096703 0.78 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAPKM
SCHEMBL6403087 0.77 PTPN1 (0.41)
SCHEMBL4687324 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5099657 0.75 LMNA (0.39) ALDH1A1KDM4EGAAPOLBRECQL
SCHEMBL5099688 0.74 ACHE (0.34)
SCHEMBL6236069 0.73 SMN1; SMN2 (0.38) MAPTALDH1A1GAARECQLL3MBTL1
SCHEMBL5096735 0.73 KMT2A (0.43) ALDH1A1KDM4EPOLBPKMTDP1
SCHEMBL5098964 0.73 BIRC2 (0.37)

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 1683/4885MAPT 902/4885ALDH1A1 3651/4885
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 1599/4885MAPT 1274/4885ALDH1A1 3117/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885MAPT 902/4885ALDH1A1 3651/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885MAPT 902/4885ALDH1A1 3651/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ DNM1L 1683/4885MAPT 902/4885ALDH1A1 3651/4885

“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.