SCHEMBL22753470

SCHEMBL22753470

CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C(=O)C(C)C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ MMP1 P03956 6/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ BACE1 P56817 4/20 0.47
▸ BACE2 Q9Y5Z0 3/20 0.47
▸ CASP7 P55210 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ MMP2 P08253 9/20 0.43
▸ MMP3 P08254 4/20 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
SCHEMBL22753468 0.92 CASP3 (0.49) CASP3CASP1CASP9MMP1MMP8
SCHEMBL20614509 0.91 MMP1 (0.49) CASP3CASP1CASP9MMP1MMP8
SCHEMBL20614625 0.91 MMP1 (0.49) CASP3CASP1CASP9MMP1MMP8
SCHEMBL23008343 0.82 CASP3 (0.46) CASP3CASP1CASP9MMP1MMP8
SCHEMBL21954014 0.81 NAALAD2 (0.48) CASP3CASP1CASP9MMP1MMP8
SCHEMBL20756587 0.80 CASP3 (0.46) CASP3CASP1CASP9MMP1MMP8
SCHEMBL23380884 0.79 BACE1 (0.47) BACE1BACE2
SCHEMBL29311869 0.78 MMP1 (0.50) MMP1MMP8MMP2MMP3
SCHEMBL25627310 0.78 MME (0.60) ACE
SCHEMBL20756477 0.77 OPRD1 (0.48) CASP3MMP1MMP8CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 — — US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 — — US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 — — US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 — — 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 (4 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID CASP3 623/4885CASP1 1529/4885CASP9 1841/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID CASP3 623/4885CASP1 1529/4885CASP9 1841/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID CASP3 623/4885CASP1 1529/4885CASP9 1841/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID CASP3 623/4885CASP1 1529/4885CASP9 1841/4885

“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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