Sugi Predict

Sugi Predict / Compounds / SCHEMBL5099248

SCHEMBL5099248

SCHEMBL5099248

Cc1cccc(CN2CCC[C@H](NC(=O)[CH]CC(C)C)C(=O)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDE2A O00408 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ PDE8A O60658 1/20 0.36
▸ PDE8B O95263 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL5092918 0.91 KMT2A (0.43) KMT2AMAPTMEN1SMN1; SMN2L3MBTL1
SCHEMBL5092925 0.83 KMT2A (0.45) KMT2AMAPTMEN1SMN1; SMN2L3MBTL1
SCHEMBL7477924 0.80 CTSK (0.49) MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL6403087 0.77 PTPN1 (0.41) PDE2A
SCHEMBL5092992 0.76 HSD11B1 (0.37) ALDH1A1
SCHEMBL4687324 0.74 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1
SCHEMBL6589794 0.73 CTSK (0.64) —
SCHEMBL5092922 0.72 CTSK (0.46) MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5099617 0.71 CTSK (0.42) ALDH1A1MAPK1
SCHEMBL5096703 0.71 ALDH1A1 (0.41) MAPTSMN1; SMN2NPSR1KDM4EALDH1A1

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 KMT2A 2410/4885MAPT 1274/4885MEN1 3396/4885

“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.