SCHEMBL3188590

SCHEMBL3188590

COC(=O)NCCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.60
▸ CTSS P25774 9/20 0.60
▸ CTSB P07858 3/20 0.57
▸ CTSL P07711 1/20 0.57
▸ AKT1 P31749 1/20 0.53
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ ATM Q13315 1/20 0.50

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
SCHEMBL22236519 0.88 CTSS (0.63) CTSKCTSSCTSBCTSLAKT1
SCHEMBL18546494 0.87 CTSK (0.64) CTSKCTSSCTSBCTSLAKT1
SCHEMBL18546605 0.87 CTSK (0.64) CTSKCTSSCTSBCTSLAKT1
SCHEMBL25884513 0.87 CTSK (0.64) CTSKCTSSCTSBCTSLAKT1
SCHEMBL22236516 0.87 CTSK (0.68) CTSKCTSSCTSBCTSLAKT1
SCHEMBL23218022 0.86 CTSS (0.63) CTSKCTSSCTSBCTSLAKT1
SCHEMBL17614472 0.86 CTSS (0.63) CTSKCTSSCTSBCTSLAKT1
SCHEMBL23218021 0.86 CTSS (0.63) CTSKCTSSCTSBCTSLAKT1
SCHEMBL18547723 0.86 CTSK (0.63) CTSKCTSSCTSBCTSLAKT1
SCHEMBL28736812 0.85 CA12 (0.70) CTSKCTSSCTSBCTSLAKT1

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-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 — — US disclosed
US-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 — — US disclosed
US-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 — — US disclosed
EP-1646633-B1 BETA-STRAND MIMETICS CHOONGWAE PHARMA CORP (KR) 2009-04-15 — — EP disclosed
EP-1646633-A1 BETA-STRAND MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2006-04-19 — — EP disclosed
WO-2004108731-A1 BETA-STRAND MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2004-12-16 — — WO disclosed
US-20040053331-A1 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2004-03-18 — — 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-20040053331-A1 Beta-strand mimetics and method relating thereto BIRC5, BIRC7, XIAP CTSK 1886/4885CTSS 884/4885CTSB 1086/4885

“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.

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