SCHEMBL5138976

SCHEMBL5138976

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
LARS1 Q9P2J5 1/20 0.60
MMP2 P08253 4/20 0.60
MMP9 P14780 3/20 0.60
MEN1 O00255 1/20 0.60
CYP2C9 P11712 1/20 0.60
KMT2A Q03164 1/20 0.60
MMP1 P03956 1/20 0.60
MMP3 P08254 1/20 0.60
MMP7 P09237 1/20 0.60
MMP13 P45452 1/20 0.60
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
F2 P00734 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.52
ADAM17 P78536 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5138984 1.00 KDM4E (0.61) KDM4ELARS1MMP2MMP9MEN1
SCHEMBL15251693 1.00 KDM4E (0.61) KDM4ELARS1MMP2MMP9MEN1
SCHEMBL7948476 0.88 LARS1 (0.62) KDM4ELARS1MMP2MMP9MMP1
SCHEMBL1770896 0.88 LARS1 (0.62) KDM4ELARS1MMP2MMP9MMP1
SCHEMBL1770524 0.87 LARS1 (0.58) KDM4ELARS1CYP2C9SLC1A3SLC1A2
SCHEMBL1770779 0.87 LARS1 (0.58) KDM4ELARS1CYP2C9SLC1A3SLC1A2
SCHEMBL30919401 0.86 SLC1A3 (0.60) KDM4ELARS1MMP2MMP9CYP2C9
SCHEMBL15731854 0.86 SLC1A3 (0.60) KDM4ELARS1MMP2MMP9CYP2C9
SCHEMBL15708513 0.86 SLC1A3 (0.60) KDM4ELARS1MMP2MMP9CYP2C9
SCHEMBL6434896 0.85 SLC1A3 (0.61) MMP2MMP9MMP13SLC1A3SLC1A2

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 24 patents — showing the first 20. 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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO 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
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-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 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 KDM4E 917/4885LARS1 4624/4885MMP2 24/4885
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 KDM4E 875/4885LARS1 3931/4885MMP2 37/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KDM4E 917/4885LARS1 4624/4885MMP2 24/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KDM4E 917/4885LARS1 4624/4885MMP2 24/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KDM4E 917/4885LARS1 4624/4885MMP2 24/4885

“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.