SCHEMBL25457253

SCHEMBL25457253

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](CCCNC(=N)N)C(=O)N2)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.56
PLAU P00749 3/20 0.50
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGB5 P18084 1/20 0.50
CTSG P08311 1/20 0.49
ELANE P08246 1/20 0.47
EPHA2 P29317 1/20 0.47

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
SCHEMBL25455250 0.96 KLKB1 (0.61) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25457461 0.92 KLKB1 (0.49) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25458309 0.91 ITGB3 (0.48) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25457067 0.91 LDLR (0.47) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25459306 0.91 KLKB1 (0.56) KLKB1PLAUELANE
SCHEMBL25459225 0.90 KLKB1 (0.48) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25459090 0.90 KLKB1 (0.59) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25458170 0.90 KLKB1 (0.52) KLKB1PLAUELANE
SCHEMBL25455267 0.89 KLKB1 (0.61) KLKB1PLAUELANE
SCHEMBL25457239 0.89 PLAU (0.49) KLKB1PLAUITGB3ITGB1ITGAV

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 KLKB1 1100/4885PLAU 793/4885ITGB3 22/4885

“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.