SCHEMBL5105403

SCHEMBL5105403

NC1CCCN(S(=O)(=O)c2ccccc2)CC1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
AKR1C3 P42330 7/20 0.52
AKR1C1 Q04828 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4222112 0.86 MAPT (0.66) LMNAAKR1C3CYP2C19MAPTHTT
SCHEMBL5105390 0.84 POLB (0.61) SMN1; SMN2AKR1C3AKR1C1CYP2C19MAPT
SCHEMBL5096495 0.84 KMT2A (0.60) LMNAAKR1C3AKR1C1MAPTTSHR
SCHEMBL15834174 0.83 CYP2C9 (0.47) LMNAALDH1A1L3MBTL1
SCHEMBL5105726 0.83 GAA (0.61) LMNASMN1; SMN2CYP2C19MAPTTSHR
SCHEMBL27577088 0.82 LMNA (0.55) LMNASMN1; SMN2AKR1C3AKR1C1CYP2C19
SCHEMBL12207333 0.82 LMNA (0.57) LMNASMN1; SMN2AKR1C3AKR1C1CYP2C19
SCHEMBL16680003 0.82 LMNA (0.57) LMNASMN1; SMN2AKR1C3AKR1C1CYP2C19
SCHEMBL25925098 0.82 AKR1C3 (0.61) LMNASMN1; SMN2AKR1C3AKR1C1CYP2C19
SCHEMBL7418752 0.82 AKR1C3 (0.61) LMNASMN1; SMN2AKR1C3AKR1C1CYP2C19

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 16 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
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
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
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 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 LMNA 2800/4885SMN1; SMN2 4669/4885AKR1C3 2676/4885
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 4769/4885AKR1C3 2873/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885AKR1C3 2676/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885AKR1C3 2676/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885SMN1; SMN2 4669/4885AKR1C3 2676/4885

“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.