Sugi Predict

Sugi Predict / Compounds / SCHEMBL5630160

SCHEMBL5630160

SCHEMBL5630160

CC(C)(C)[C@@H](Cn1ccc(-c2cccnc2)n1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.47
▸ CTSS P25774 6/20 0.47
▸ CTSB P07858 5/20 0.47
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ CTSV O60911 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL5630168 1.00 CTSK (0.47) CTSKCTSSCTSBMAPTALDH1A1
SCHEMBL5631115 0.90 CTSK (0.44) CTSKCTSSCTSBMAPTALDH1A1
SCHEMBL5631111 0.90 CTSK (0.44) CTSKCTSSCTSBMAPTALDH1A1
SCHEMBL6404198 0.84 CTSK (0.49) CTSKCTSSCTSBMAPTGAA
SCHEMBL5631657 0.84 CTSK (0.49) CTSKCTSSCTSBMAPTGAA
SCHEMBL5631408 0.84 CTSK (0.49) CTSKCTSSCTSBMAPTGAA
SCHEMBL8371623 0.80 POLB (0.46) CTSKCTSSCTSBPOLBGAA
SCHEMBL5629881 0.72 CTSK (0.46) CTSKCTSSCTSBMAPTGAA
SCHEMBL5629875 0.72 CTSK (0.46) CTSKCTSSCTSBMAPTGAA
SCHEMBL6403652 0.71 PTGS2 (0.46) MAPTALDH1A1POLBRECQLDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 — — US disclosed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 — — US disclosed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 — — US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 — — US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 — — US disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 — — 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 (2 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS CTSK 1/4885CTSS 3/4885CTSB 2/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSS 6/4885CTSB 4/4885

“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.