SCHEMBL5099657

SCHEMBL5099657

CCc1ccc(CN2CCC[C@H](NC(=O)[CH]CC(C)C(N)=O)C(=O)C2)o1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL4687324 0.83 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL5096703 0.82 ALDH1A1 (0.41) KDM4EGAAALDH1A1
SCHEMBL5099688 0.82 ACHE (0.34) KMT2A
SCHEMBL5098998 0.81 BCHE (0.41) KDM4E
SCHEMBL5099669 0.81 LMNA (0.40) LMNAKDM4EGAAALDH1A1
SCHEMBL5096735 0.80 KMT2A (0.43) KDM4EALDH1A1KMT2APOLBMAPK1
SCHEMBL5098964 0.80 BIRC2 (0.37)
SCHEMBL5092918 0.79 KMT2A (0.43) LMNAKDM4EALDH1A1KMT2AMAPK1
SCHEMBL6403087 0.78 PTPN1 (0.41)
SCHEMBL5092868 0.76 CTSK (0.35) GAAALDH1A1KMT2A

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-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
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 LMNA 2800/4885KDM4E 917/4885GAA 71/4885
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 LMNA 3527/4885KDM4E 875/4885GAA 61/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885KDM4E 917/4885GAA 71/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885KDM4E 917/4885GAA 71/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885KDM4E 917/4885GAA 71/4885

“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.