SCHEMBL30455558

SCHEMBL30455558

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.62
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ KEAP1 Q14145 2/20 0.58
▸ CALCR P30988 7/20 0.57
▸ MC4R P32245 1/20 0.56
▸ RAMP3 O60896 4/20 0.56
▸ GLP1R P43220 3/20 0.55
▸ GCGR P47871 2/20 0.55

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
SCHEMBL29695502 0.90 APLNR (0.64) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31295720 0.89 CALCR (0.65) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29606611 0.88 CALCR (0.72) APLNRKEAP1CALCRRAMP3GLP1R
SCHEMBL30455824 0.87 MAPK8 (0.57) APLNRKEAP1CALCRMC4RRAMP3
SCHEMBL29949373 0.87 CALCR (0.70) APLNRKEAP1CALCRGLP1RGCGR
SCHEMBL30185050 0.86 APLNR (0.62) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30437391 0.86 APLNR (0.67) APLNRKEAP1CALCRMC4RGLP1R
SCHEMBL30524357 0.86 APLNR (0.67) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31688333 0.86 APLNR (0.65) APLNRCALCRMC4RRAMP3GLP1R
SCHEMBL29362632 0.85 APLNR (0.61) APLNRCALCRMC4RRAMP3

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-20230193291-A1 METHOD FOR PRODUCING BLOCKPOYMERS BY MEANS OF LINKING BLOCKS BY A TRANSPEPTIDASE, AND BLOCK POLYMERS OBTAINED BY TRANSPEPTIDASE LINKING FRAUNHOFER GES FORSCHUNG (DE) 2023-06-22 — — 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-20230193291-A1 METHOD FOR PRODUCING BLOCKPOYMERS BY MEANS OF LINKING BLOCKS BY A TRANSPEPTIDASE, AND BLOCK POLYMERS OBTAINED BY TRANSPEPTIDASE LINKING RNPEP, DNPEP, ENPEP APLNR 320/4885CTSL 252/4885CTSS 413/4885

“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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