SCHEMBL31235886

SCHEMBL31235886

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.45
▸ F2 P00734 5/20 0.42
▸ NPY1R P25929 3/20 0.41
▸ CALCRL Q16602 2/20 0.41
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ ACE P12821 2/20 0.39
▸ REN P00797 1/20 0.39

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
SCHEMBL31235872 0.93 XIAP (0.46) XIAPF2NPY1RNPY2RNPY4R
SCHEMBL29407069 0.89 XIAP (0.52) XIAPF2NPY1RNTSR2NTSR1
SCHEMBL31235878 0.89 NTSR1 (0.48) XIAPF2NPY1RNPY2RNPY4R
SCHEMBL31235876 0.84 NTSR1 (0.48) XIAPF2NPY1RNPY2RNPY4R
SCHEMBL30102062 0.82 XIAP (0.43) XIAPNPY1RCALCRLNPY2RNPY4R
SCHEMBL30577828 0.82 XIAP (0.50) XIAPACEREN
SCHEMBL29452627 0.82 XIAP (0.50) XIAPNPY1RCALCRLNPY2RNPY4R
SCHEMBL30532202 0.81 XIAP (0.53) XIAPF2CALCRLNTSR2NTSR1
SCHEMBL10773608 0.81 APLNR (0.43) CALCRLKEAP1
SCHEMBL10773591 0.81 APLNR (0.43) CALCRLKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376517-A1 GRANZYME B DETECTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2024-11-14 — — 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-20240376517-A1 GRANZYME B DETECTION GZMB, CTSB, DNASE1L3 XIAP 598/4885F2 2290/4885NPY1R 1620/4885

“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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