SCHEMBL23104927

SCHEMBL23104927

CN[C@H]1CSCc2cc3cc(c2)CSC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc2cccc4ccccc24)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC1=O)C(=O)N[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)(C)C)C(=O)N[C@H](C(N)=O)CSC3

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.50
GRB7 Q14451 2/20 0.49
EPHA2 P29317 2/20 0.49
OPRK1 P41145 2/20 0.49
PLAU P00749 2/20 0.49
LDLR P01130 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
KLKB1 P03952 5/20 0.45
PLG P00747 1/20 0.44
TSLP Q969D9 2/20 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
SCHEMBL23104900 0.98 CTSG (0.51) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL20382865 0.94 CTSG (0.51) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL20382863 0.94 CTSG (0.51) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL23105035 0.93 CTSG (0.48) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL20756513 0.93 CTSG (0.59) CTSGEPHA2OPRK1PLAULDLR
SCHEMBL22198564 0.93 CTSG (0.59) CTSGEPHA2OPRK1PLAULDLR
SCHEMBL22404440 0.92 GRB7 (0.50) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL22404465 0.92 GRB7 (0.50) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL20614623 0.92 CTSG (0.49) CTSGGRB7EPHA2OPRK1PLAU
SCHEMBL21914867 0.91 OPRK1 (0.49) CTSGGRB7EPHA2OPRK1PLAU

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 3 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
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 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 (2 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 CTSG 723/4885GRB7 472/4885EPHA2 491/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR CTSG 723/4885GRB7 472/4885EPHA2 491/4885

“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.