Sugi Predict

Sugi Predict / Compounds / SCHEMBL4767334

SCHEMBL4767334

SCHEMBL4767334

CC(C)C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ CTSK P43235 9/20 0.41
▸ CTSL P07711 4/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CTSB P07858 2/20 0.40
▸ CTSV O60911 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL4767042 0.91 ATM (0.42) ATMKDM4ECTSKCTSLCTSS
SCHEMBL5096409 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7432025 0.86 ALDH1A1 (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4898677 0.83 CTSK (0.47) ATMKDM4ECTSKCTSLCTSS
SCHEMBL4686326 0.81 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092584 0.81 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096573 0.81 EPHX2 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099617 0.80 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099286 0.80 CTSK (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL7427117 0.80 MEN1 (0.52) KDM4EL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 — — EP disclosed
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-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 — — EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 — — WO 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 ATM 3324/4885KDM4E 875/4885CTSK 1/4885

“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.