SCHEMBL5099593

SCHEMBL5099593

NC1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.48
TRPA1 O75762 1/20 0.48
PKM P14618 2/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.47
MMP2 P08253 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL5447085 0.86 PKM (0.55) CYP2C19KDM4EKMT2AGAAMEN1
SCHEMBL5096486 0.83 HTT (0.59) MAPTCYP2C19KDM4EL3MBTL1GAA
SCHEMBL5444937 0.80 KDM4E (0.52) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL5455308 0.80 KMT2A (0.53) CYP3A4CYP2C19L3MBTL1KMT2AGAA
SCHEMBL22868370 0.78 MAPT (0.64) MAPTCYP3A4CYP2C19KDM4EL3MBTL1
SCHEMBL5445751 0.77 GPBAR1 (0.62) CYP3A4CYP2C19KMT2AMEN1USP2
SCHEMBL423283 0.75 MAPT (0.74) MAPTL3MBTL1KMT2AMEN1PKM
SCHEMBL3236916 0.75 MAPT (0.80) MAPTKDM4EL3MBTL1KMT2AGAA
SCHEMBL19348414 0.75 MEN1 (0.57) MAPTCYP3A4CYP2C19KDM4EL3MBTL1
SCHEMBL2060095 0.74 PKM (0.62) MAPTKDM4EL3MBTL1KMT2AGAA

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 12 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
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP 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
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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 MAPT 902/4885CYP3A4 604/4885CYP2C19 626/4885
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 MAPT 1274/4885CYP3A4 1209/4885CYP2C19 1707/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885CYP3A4 604/4885CYP2C19 626/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885CYP3A4 604/4885CYP2C19 626/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885CYP3A4 604/4885CYP2C19 626/4885

“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.