Sugi Predict

Sugi Predict / Compounds / SCHEMBL22404452

SCHEMBL22404452

SCHEMBL22404452

C[C@H]1NC(=O)CCSCc2cc3cc(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)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)NCCSC3

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 13/20 0.47
▸ LDLR P01130 12/20 0.47
▸ CTSG P08311 2/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ GRB7 Q14451 1/20 0.45
▸ EHD1 Q9H4M9 2/20 0.45
▸ PLAU P00749 1/20 0.44

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
SCHEMBL22404085 0.95 CTSG (0.44) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL22404440 0.94 GRB7 (0.50) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL22404465 0.94 GRB7 (0.50) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20756627 0.91 GRB7 (0.56) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20756440 0.89 GRB7 (0.48) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20756439 0.89 CTSG (0.44) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL23104927 0.86 CTSG (0.50) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20385944 0.85 GRB7 (0.49) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20385895 0.85 GRB7 (0.49) PCSK9LDLRCTSGEPHA2GRB7
SCHEMBL20382865 0.84 CTSG (0.51) PCSK9LDLRCTSGEPHA2GRB7

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-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-10 — — 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-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF PRRC2A, GRPR, QRFPR PCSK9 315/4885LDLR 224/4885CTSG 1398/4885

“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.