Sugi Predict

Sugi Predict / Compounds / SCHEMBL4689689

SCHEMBL4689689

SCHEMBL4689689

O=S(=O)(Cl)c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL27382566 0.78 LMNA (0.40) PKMLMNAHTTALDH1A1TDP1
SCHEMBL16632833 0.78 PKM (0.42) PKMLMNAHTTALDH1A1TDP1
SCHEMBL10634892 0.78 CA2 (0.42) PKMLMNAHTTALDH1A1TDP1
SCHEMBL5953309 0.78 LMNA (0.41) PKMLMNAHTTALDH1A1TDP1
SCHEMBL27488049 0.77 LMNA (0.39) PKMLMNAHTTALDH1A1TDP1
SCHEMBL27807245 0.77 LMNA (0.39) PKMLMNAHTTALDH1A1TDP1
SCHEMBL27785376 0.77 LMNA (0.39) PKMLMNAHTTALDH1A1TDP1
SCHEMBL11074999 0.75 PSIP1 (0.43) PKMLMNAHTTALDH1A1TDP1
SCHEMBL30951780 0.75 LMNA (0.38) PKMLMNAHTTALDH1A1TDP1
SCHEMBL10413445 0.74 L3MBTL1 (0.42) PKMLMNAHTTALDH1A1CNR1

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 47 patents — showing the first 20. 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
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 — — US disclosed
EP-1229914-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 — — EP disclosed
EP-1232154-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 — — EP 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
WO-2001034160-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034600-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034155-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034154-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034599-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034156-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2001034153-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 — — WO disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — WO disclosed
US-4722749-A Pyridinesulfonamides and their use as herbicidal agents SANDOZ LTD. (CH) 1988-02-02 — — US disclosed
EP-0227601-A2 Novel pyridine compounds and their use as herbicides SANDOZ AG (CH) 1987-07-01 — — EP 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 (4 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 1809/4885LMNA 2800/4885HTT 1209/4885
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 1315/4885LMNA 3527/4885HTT 2372/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF PKM 1620/4885LMNA 2936/4885HTT 3475/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ PKM 1809/4885LMNA 2800/4885HTT 1209/4885

“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.