SCHEMBL5105698

SCHEMBL5105698

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCN(S(=O)(=O)c2cccc(Cl)c2)CC1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.46
CTSK P43235 2/20 0.44
BCL9 O00512 5/20 0.41
CTNNB1 P35222 5/20 0.41
RORC P51449 3/20 0.40
STS P08842 1/20 0.40
PTPN11 Q06124 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 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
SCHEMBL5105702 1.00 CACNA1B (0.46) CACNA1BCTSKBCL9CTNNB1RORC
SCHEMBL4902191 0.91 CTSK (0.51) CACNA1BCTSK
SCHEMBL7036592 0.91 CTSK (0.51) CACNA1BCTSK
SCHEMBL5105824 0.90 CACNA1B (0.45) CACNA1BCTSKBCL9CTNNB1
SCHEMBL6635523 0.90 CACNA1B (0.45) CACNA1BCTSKBCL9CTNNB1
SCHEMBL5105827 0.90 CACNA1B (0.45) CACNA1BCTSKBCL9CTNNB1
SCHEMBL5582055 0.86 CACNA1B (0.47) CACNA1BCTSK
SCHEMBL5582054 0.86 CACNA1B (0.47) CACNA1BCTSK
SCHEMBL7562941 0.85 MMP2 (0.48) CACNA1BCTSK
SCHEMBL5099152 0.85 MMP2 (0.48) CACNA1BCTSK

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 9 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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-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-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 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 (7 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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists TRPV4, TRPV2, TRPV3 CACNA1B 132/4885CTSK 410/4885BCL9 4784/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885BCL9 370/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP CACNA1B 3902/4885CTSK 47/4885BCL9 1932/4885
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 CACNA1B 4033/4885CTSK 1/4885BCL9 828/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885BCL9 370/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885BCL9 370/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885BCL9 370/4885

“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.