SCHEMBL6358735

SCHEMBL6358735

CCOC(CCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)OCC

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.69
▸ CAPN1 P07384 1/20 0.67
▸ CAPN2 P17655 1/20 0.67
▸ CTSS P25774 6/20 0.66
▸ CTSL P07711 2/20 0.66
▸ CTSB P07858 1/20 0.66
▸ CA5A P35218 1/20 0.61
▸ CA1 P00915 1/20 0.59

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
SCHEMBL14067668 0.89 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL6365264 0.88 CTSS (0.53) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL6360713 0.87 SMN1; SMN2 (0.56) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29052549 0.87 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29052552 0.87 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL9115066 0.85 CAPN1 (0.80) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL6361024 0.85 SIRT2 (0.62) CTSSCTSL
SCHEMBL6361021 0.85 SIRT2 (0.62) CTSSCTSL
SCHEMBL6358711 0.84 CTSL (0.65) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL8750916 0.83 CTSL (0.62) CTSKCAPN1CAPN2CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 — — US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 — — US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 — — 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 CTSK 4244/4885CAPN1 1778/4885CAPN2 2144/4885

“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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