Sugi Predict

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SCHEMBL5099101

SCHEMBL5099101

CC(C)C[CH]C(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2F)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CTSK P43235 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL4902762 0.91 RAB9A (0.41) RAB9ANPC1GAAKDM4ECTSK
SCHEMBL5099671 0.83 CTSK (0.47) RAB9ANPC1GAAKDM4ECTSK
SCHEMBL7432025 0.80 ALDH1A1 (0.45) CTSKCTSLCTSSEPHX2L3MBTL1
SCHEMBL7429743 0.75 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL5105797 0.75 CTSK (0.38) CTSKCTSLCTSSMAPTKMT2A
SCHEMBL6599017 0.75 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL6640240 0.74 CTSK (0.49) NPC1CTSKCTSLCTSS
SCHEMBL6640248 0.74 CTSK (0.49) NPC1CTSKCTSLCTSS
SCHEMBL6640243 0.74 CTSK (0.49) NPC1CTSKCTSLCTSS
SCHEMBL5092936 0.74 RAB9A (0.45) RAB9ANPC1GAAKDM4EMAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 RAB9A 2214/4885NPC1 1557/4885GAA 61/4885

“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.