Sugi Predict

Sugi Predict / Compounds / SCHEMBL5096593

SCHEMBL5096593

SCHEMBL5096593

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ GAA P10253 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL5420500 0.76 PKM (0.55) TSHRCYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL4316015 0.73 L3MBTL1 (0.35) L3MBTL1
SCHEMBL5093011 0.70 PKM (0.43) TSHRCYP2C9CYP2C19CYP3A4PKM
SCHEMBL7428033 0.69 PKM (0.55) TSHRCYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL5426827 0.66 MEN1 (0.58) TSHRCYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL5441494 0.63 PKM (0.44) TSHRCYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL5428522 0.63 KMT2A (0.36) TSHRCYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL5428525 0.61 MAPT (0.47) TSHRCYP2C19L3MBTL1PKMSMN1; SMN2
SCHEMBL5422484 0.56 PKM (0.53) TSHRCYP2C9KMT2AL3MBTL1PKM
SCHEMBL5428845 0.55 HPGD (0.59) TSHRL3MBTL1MAPK1ALDH1A1LMNA

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 19 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
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-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
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — 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 TSHR 4016/4885CYP2C9 938/4885CYP2C19 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 TSHR 2596/4885CYP2C9 1550/4885CYP2C19 1707/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885CYP2C9 938/4885CYP2C19 626/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885CYP2C9 938/4885CYP2C19 626/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885CYP2C9 938/4885CYP2C19 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.