SCHEMBL29976151

SCHEMBL29976151

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.44
▸ XIAP P98170 1/20 0.44
▸ CAPN1 P07384 4/20 0.43
▸ NTSR2 O95665 10/20 0.42
▸ NTSR1 P30989 10/20 0.42
▸ SORT1 Q99523 9/20 0.42
▸ CTSB P07858 1/20 0.42
▸ REN P00797 1/20 0.41

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
SCHEMBL29678167 0.92 CAPN1 (0.48) CALCRLCAPN1NTSR2NTSR1SORT1
SCHEMBL29678075 0.87 MAPK8 (0.47) CALCRLXIAPCAPN1NTSR2NTSR1
SCHEMBL31518676 0.85 XIAP (0.49) XIAPNTSR2NTSR1SORT1REN
SCHEMBL29678210 0.83 NPY1R (0.58) CALCRLNTSR2NTSR1SORT1
SCHEMBL32677437 0.78 ACE (0.44) CALCRLCAPN1CTSBREN
SCHEMBL31670650 0.77 XIAP (0.45) CALCRLXIAPCAPN1NTSR2NTSR1
SCHEMBL31518656 0.77 NTSR1 (0.44) CALCRLCAPN1NTSR2NTSR1SORT1
SCHEMBL29576733 0.77 NTSR2 (0.51) XIAPCAPN1NTSR2NTSR1SORT1
SCHEMBL8848776 0.77 CAPN1 (0.42) XIAPCAPN1NTSR2NTSR1SORT1
SCHEMBL30799346 0.76 CAPN1 (0.54) CALCRLXIAPCAPN1CTSB

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-20220241377-A1 RECEPTOR-TARGETING PEPTIDE-DRUG CONJUGATES Molgenie GmbH (DE) 2022-08-04 — — US claimed

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-20220241377-A1 RECEPTOR-TARGETING PEPTIDE-DRUG CONJUGATES NPY1R, NPY2R, NPY5R CALCRL 140/4885XIAP 1469/4885CAPN1 3798/4885

“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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