SCHEMBL4747157

SCHEMBL4747157

N[n+]1ccccc1S(=O)(=O)N1CCC[CH]C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C3 P42330 4/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C1 Q04828 1/20 0.31
PKM P14618 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
SCHEMBL5096593 0.74 TSHR (0.36) LMNASMN1; SMN2CYP2C19CYP3A4CYP2C9
SCHEMBL4316015 0.59 L3MBTL1 (0.35) L3MBTL1
SCHEMBL7418752 0.57 AKR1C3 (0.61) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL25925098 0.57 AKR1C3 (0.61) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL5441494 0.57 PKM (0.44) CYP2C19CYP3A4CYP2C9TSHRMEN1
SCHEMBL27577088 0.56 LMNA (0.55) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL5105403 0.56 LMNA (0.55) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL12207333 0.54 LMNA (0.57) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL16680003 0.54 LMNA (0.57) LMNASMN1; SMN2CYP2C19TSHRAKR1C3
SCHEMBL15916089 0.54 CCR1 (0.56) CYP2C19CYP3A4CYP2C9TSHRMEN1

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
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
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-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
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

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 2800/4885SMN1; SMN2 4669/4885CYP2C19 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 LMNA 3527/4885SMN1; SMN2 4769/4885CYP2C19 1707/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885CYP2C19 626/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885CYP2C19 626/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885CYP2C19 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.