SCHEMBL25459090

SCHEMBL25459090

CSCc1cc2cc(c1)OCCCCCCO/N=C/C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(N)=O)CSC2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.59
PLAU P00749 2/20 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
PCSK9 Q8NBP7 1/20 0.48
F11 P03951 1/20 0.48
CACNA1B Q00975 1/20 0.48
ELANE P08246 1/20 0.47
KLK7 P49862 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 0.94 KLKB1 (0.61) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25457049 0.92 KLKB1 (0.49) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25457071 0.91 KLKB1 (0.48) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25456115 0.90 KLKB1 (0.48) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25457253 0.90 KLKB1 (0.56) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25455884 0.89 KLKB1 (0.47) KLKB1PLAUKLK7
SCHEMBL25456183 0.89 KLKB1 (0.46) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25456102 0.89 KLKB1 (0.60) KLKB1PCSK9
SCHEMBL25457101 0.87 KLHL20 (0.47) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25455267 0.87 KLKB1 (0.61) KLKB1PLAUF11ELANE

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.