SCHEMBL25457239

SCHEMBL25457239

COOC(=O)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)OCCCCCCO/N=C/C(=O)N[C@@H](CCCCN)C(=O)N2)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.49
KLKB1 P03952 9/20 0.47
KLHL20 Q9Y2M5 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGB5 P18084 1/20 0.45
LDLR P01130 3/20 0.41
PCSK9 Q8NBP7 3/20 0.41
EPHA2 P29317 1/20 0.41

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
SCHEMBL25458962 0.97 PLAU (0.47) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25458685 0.97 PLAU (0.48) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25455236 0.95 PLAU (0.52) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25457240 0.95 PLAU (0.51) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25457461 0.94 KLKB1 (0.49) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL25459609 0.94 PLAU (0.47) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25458991 0.94 PLAU (0.45) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25458309 0.94 ITGB3 (0.48) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25457452 0.93 KLHL20 (0.47) PLAUKLKB1KLHL20ITGB3ITGB1
SCHEMBL25457067 0.93 LDLR (0.47) PLAUKLKB1ITGB3ITGB1ITGAV

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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 PLAU 793/4885KLKB1 1100/4885KLHL20 4508/4885

“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.