SCHEMBL20614625

SCHEMBL20614625

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)N[C@H](C(C)=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ BACE1 P56817 3/20 0.46
▸ BACE2 Q9Y5Z0 3/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.46
▸ MMP2 P08253 11/20 0.44
▸ MMP3 P08254 5/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ACE P12821 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
SCHEMBL20614509 1.00 MMP1 (0.49) MMP1MMP8CASP3CASP1CASP9
SCHEMBL22753470 0.91 CASP3 (0.49) MMP1MMP8CASP3CASP1CASP9
SCHEMBL20756587 0.89 CASP3 (0.46) MMP1MMP8CASP3CASP1CASP9
SCHEMBL20614626 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL22352358 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL20763011 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL22352135 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL20763448 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL20756477 0.86 OPRD1 (0.48) MMP1MMP8CASP3CASP7
SCHEMBL22753468 0.82 CASP3 (0.49) MMP1MMP8CASP3CASP1CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 — — US disclosed
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
WO-2019034868-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 — — WO disclosed
WO-2019034866-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 — — WO disclosed
WO-2019002842-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2019-01-03 — — WO 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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR MMP1 4349/4885MMP8 1428/4885CASP3 450/4885

“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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