SCHEMBL5093207

SCHEMBL5093207

COc1cccc(S(=O)(=O)N2CCCC(N)C(O)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKLR P30613 1/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR7 P34969 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CHRM5 P08912 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL5105726 0.86 GAA (0.61) PKMGAAPKLRLMNATSHR
Hydrochloric Acid SCHEMBL27557162 0.85 GAA (0.60) PKMGAAPKLRLMNATSHR
SCHEMBL7700065 0.83 AKR1C3 (0.66) NPSR1LMNAMAPTALDH1A1TP53
SCHEMBL5096495 0.82 KMT2A (0.60) GAANPSR1LMNATSHRMAPT
SCHEMBL5105390 0.82 POLB (0.61) PKMNPSR1PKLRTSHRMAPT
SCHEMBL5105403 0.81 LMNA (0.55) LMNATSHRMAPK1MAPTALDH1A1
SCHEMBL15010154 0.79 KMT2A (0.70) PKMGAANPSR1PKLRLMNA
SCHEMBL7697945 0.78 CHRM5 (0.51) PKMGAANPSR1LMNAMAPT
SCHEMBL7427831 0.77 CACNA1B (0.53) PKMNPSR1LMNATSHRMAPT
SCHEMBL7701714 0.76 CHRM5 (0.49) PKMGAANPSR1LMNAMAPT

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 7 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-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-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 (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 PKM 1809/4885GAA 71/4885NPSR1 3498/4885
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 PKM 1315/4885GAA 61/4885NPSR1 3611/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ PKM 1809/4885GAA 71/4885NPSR1 3498/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ PKM 1809/4885GAA 71/4885NPSR1 3498/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ PKM 1809/4885GAA 71/4885NPSR1 3498/4885

“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.