Sugi Predict

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SCHEMBL5099682

SCHEMBL5099682

CC(C)C[C@H](N)C(=O)N(C(=O)c1ccccc1)C1CCCNCC1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ OPRD1 P41143 1/20 0.35
▸ SLC6A2 P23975 14/20 0.35
▸ SLC6A4 P31645 14/20 0.35
▸ SLC6A3 Q01959 9/20 0.35
▸ KCNH2 Q12809 7/20 0.35
▸ GHSR Q92847 2/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ MBTPS1 Q14703 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
SCHEMBL5099589 0.80 OPRD1 (0.35) KMT2AOPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL6590138 0.78 KMT2A (0.38) KMT2AOPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL5099674 0.77 KMT2A (0.37) KMT2AOPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL6764532 0.74 CTSK (0.33) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27982209 0.69 KMT2A (0.50) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5099315 0.69 ARG1 (0.43) KMT2ACYP2D6
SCHEMBL4763254 0.69 CTSD (0.38) SLC6A2SLC6A4SLC6A3KCNH2GHSR
SCHEMBL4763258 0.69 CTSD (0.38) SLC6A2SLC6A4SLC6A3KCNH2GHSR
SCHEMBL4762162 0.68 MAPK1 (0.41) KMT2A
SCHEMBL6588445 0.68 MAPK1 (0.38) KMT2A

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 KMT2A 2920/4885OPRD1 3426/4885SLC6A2 4474/4885
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 KMT2A 2410/4885OPRD1 3202/4885SLC6A2 4303/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885OPRD1 3426/4885SLC6A2 4474/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885OPRD1 3426/4885SLC6A2 4474/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885OPRD1 3426/4885SLC6A2 4474/4885

“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.