Sugi Predict

Sugi Predict / Compounds / SCHEMBL5105362

SCHEMBL5105362

SCHEMBL5105362

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2nccs2)CC1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.40
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CTSK P43235 5/20 0.34
▸ CTSL P07711 4/20 0.34
▸ CTSS P25774 4/20 0.34
▸ GCK P35557 1/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL4686499 0.84 CTSK (0.49) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL5971807 0.84 CTSK (0.49) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL5105535 0.83 CTSK (0.41) CACNA1BALDH1A1MAPK1MEN1KMT2A
SCHEMBL5092491 0.82 TP53 (0.49) CACNA1BLMNA
SCHEMBL4839973 0.82 CTSK (0.49) CTSKCTSLCTSSGCKCTSB
SCHEMBL5105359 0.82 USP2 (0.36) USP2GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL5096614 0.81 CACNA1B (0.42) CACNA1BGAAALDH1A1SMN1; SMN2CTSK
SCHEMBL7427967 0.81 CACNA1B (0.53) CACNA1BALDH1A1SMN1; SMN2LMNA
SCHEMBL5098782 0.81 CACNA1B (0.53) CACNA1BALDH1A1SMN1; SMN2LMNA
SCHEMBL5105253 0.80 CACNA1B (0.45) CACNA1BALDH1A1SMN1; SMN2MAPK1CTSK

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 CACNA1B 4138/4885USP2 2159/4885GAA 71/4885
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 CACNA1B 4033/4885USP2 2730/4885GAA 61/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885USP2 2159/4885GAA 71/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885USP2 2159/4885GAA 71/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885USP2 2159/4885GAA 71/4885

“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.