Sugi Predict

Sugi Predict / Compounds / SCHEMBL5105178

SCHEMBL5105178

SCHEMBL5105178

CC(C)C[C@H](N)C(=O)N(C1CCCNCC1=O)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.39
▸ HTR6 P50406 3/20 0.37
▸ LARS1 Q9P2J5 3/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ CACNA1B Q00975 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
SCHEMBL6591312 0.83 CTSK (0.41) KCNA5HTR6PSEN1PSEN2APH1B
SCHEMBL5096693 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7039401 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592339 0.82 HTR6 (0.39) KCNA5HTR6PSEN1PSEN2APH1B
SCHEMBL4765458 0.80 HTR6 (0.40) KCNA5HTR6PSEN1PSEN2APH1B
SCHEMBL5096405 0.80 CTSK (0.35) LARS1PSEN1PSEN2APH1BNCSTN
SCHEMBL7041678 0.79 — —
SCHEMBL6771379 0.76 GCK (0.31) —
SCHEMBL5099589 0.74 OPRD1 (0.35) LARS1GPR88SLC6A2SLC6A3
SCHEMBL7434320 0.73 KCNA5 (0.36) KCNA5HTR6PSEN1PSEN2APH1B

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 13 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
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-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 — — US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US 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
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-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 — — 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 (6 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 KCNA5 3892/4885HTR6 2423/4885LARS1 4624/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP KCNA5 3891/4885HTR6 1816/4885LARS1 4480/4885
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 KCNA5 2918/4885HTR6 902/4885LARS1 3931/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KCNA5 3892/4885HTR6 2423/4885LARS1 4624/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KCNA5 3892/4885HTR6 2423/4885LARS1 4624/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KCNA5 3892/4885HTR6 2423/4885LARS1 4624/4885

“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.