Sugi Predict

Sugi Predict / Compounds / SCHEMBL25822037

SCHEMBL25822037

SCHEMBL25822037

C#CCCC(=O)NCCCC[C@H]1NC(=O)C([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)NC(=O)CNC(=O)[C@H](CCC(=O)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 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 8/20 0.63
▸ TNFRSF9 Q07011 2/20 0.58
▸ ACE2 Q9BYF1 5/20 0.57
▸ ACE P12821 3/20 0.57
▸ NECTIN4 Q96NY8 4/20 0.56
▸ KLKB1 P03952 1/20 0.54
▸ TSLP Q969D9 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
SCHEMBL25822187 1.00 EPHA2 (0.63) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25822086 1.00 EPHA2 (0.63) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25820476 1.00 EPHA2 (0.63) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25822078 1.00 EPHA2 (0.63) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25820483 1.00 EPHA2 (0.63) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25820491 0.99 EPHA2 (0.64) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25820494 0.99 EPHA2 (0.65) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25820502 0.99 EPHA2 (0.65) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25821869 0.98 EPHA2 (0.64) EPHA2TNFRSF9ACE2ACENECTIN4
SCHEMBL25822203 0.98 EPHA2 (0.66) EPHA2TNFRSF9ACE2ACENECTIN4

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 508/4885TNFRSF9 3/4885ACE2 2341/4885

“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.