SCHEMBL25524242

SCHEMBL25524242

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.50
▸ AGTR1 P30556 2/20 0.50
▸ XIAP P98170 1/20 0.47
▸ NTSR2 O95665 8/20 0.46
▸ NTSR1 P30989 8/20 0.46
▸ CALCRL Q16602 1/20 0.46
▸ ENPEP Q07075 5/20 0.45
▸ SORT1 Q99523 6/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ REN P00797 1/20 0.43

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
SCHEMBL22484304 0.95 XIAP (0.50) AGTR2AGTR1XIAPNTSR2NTSR1
SCHEMBL22484305 0.95 XIAP (0.50) AGTR2AGTR1XIAPNTSR2NTSR1
SCHEMBL25524189 0.90 XIAP (0.53) AGTR2AGTR1XIAPNTSR2NTSR1
SCHEMBL29401292 0.87 XIAP (0.47) AGTR2AGTR1XIAPNTSR2NTSR1
SCHEMBL29873831 0.85 XIAP (0.51) AGTR2AGTR1XIAPNTSR2NTSR1
SCHEMBL30067143 0.84 NTSR2 (0.51) NTSR2NTSR1SORT1REN
SCHEMBL29592298 0.83 KEAP1 (0.46) NTSR2NTSR1CALCRLREN
SCHEMBL24217628 0.83 CMA1 (0.44) AGTR2AGTR1XIAPCALCRL
SCHEMBL24217630 0.83 CMA1 (0.44) AGTR2AGTR1XIAPCALCRL
SCHEMBL30532202 0.82 XIAP (0.53) AGTR2AGTR1XIAPNTSR2NTSR1

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-11660288-B2 Drug-controlled systems and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2023-05-30 — — 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-11660288-B2 Drug-controlled systems and uses thereof ATF4, MRPL21, SARS1 AGTR2 1842/4885AGTR1 1890/4885XIAP 166/4885

“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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