Sugi Predict

Sugi Predict / Compounds / SCHEMBL25822194

SCHEMBL25822194

SCHEMBL25822194

C#CCCC(=O)NCCCC[C@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(C)=O)CSCCC(=O)N2CN3CN(C2)C(=O)CSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 8/20 0.66
▸ ACE2 Q9BYF1 6/20 0.60
▸ ACE P12821 2/20 0.60
▸ KLKB1 P03952 2/20 0.56
▸ TNFRSF9 Q07011 2/20 0.55
▸ F12 P00748 2/20 0.54
▸ NECTIN4 Q96NY8 1/20 0.53
▸ F10 P00742 1/20 0.52
▸ F11 P03951 1/20 0.52
▸ KLK1 P06870 1/20 0.52
▸ KLK2 P20151 1/20 0.52
▸ KLK14 Q9P0G3 1/20 0.52
▸ KLK13 Q9UKR3 1/20 0.52
▸ KLK5 Q9Y337 1/20 0.52
▸ ST14 Q9Y5Y6 1/20 0.52

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
SCHEMBL25820488 1.00 EPHA2 (0.66) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822040 1.00 EPHA2 (0.66) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822092 1.00 EPHA2 (0.66) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25820476 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25820483 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822086 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822187 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822078 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25822037 0.98 EPHA2 (0.63) EPHA2ACE2ACEKLKB1TNFRSF9
SCHEMBL25820491 0.97 EPHA2 (0.64) EPHA2ACE2ACEKLKB1TNFRSF9

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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2023-07-13 — — 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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS CD40, TNFSF11, TNFRSF9 EPHA2 508/4885ACE2 2341/4885ACE 2512/4885

“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.