SCHEMBL25455481

SCHEMBL25455481

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nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.54
PLAU P00749 3/20 0.52
KLKB1 P03952 10/20 0.52
CACNA1B Q00975 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB5 P18084 1/20 0.49
NNMT P40261 1/20 0.47
KLK2 P20151 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45
KLK1 P06870 1/20 0.45
KLK14 Q9P0G3 1/20 0.45
KLK13 Q9UKR3 1/20 0.45
KLK5 Q9Y337 1/20 0.45
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45

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
SCHEMBL25455478 0.89 KLKB1 (0.53) CTSGPLAUKLKB1CACNA1BITGB3
SCHEMBL25455250 0.87 KLKB1 (0.61) CTSGPLAUKLKB1ITGB3ITGB1
SCHEMBL25455427 0.86 KLKB1 (0.55) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL25455267 0.85 KLKB1 (0.61) PLAUKLKB1KLK2ST14F10
SCHEMBL25455920 0.85 KLKB1 (0.61) PLAUKLKB1KLK2ST14F10
SCHEMBL25455510 0.85 PLAU (0.54) CTSGPLAUKLKB1CACNA1BITGB3
SCHEMBL25457906 0.83 ITGB3 (0.53) CTSGPLAUKLKB1CACNA1BITGB3
SCHEMBL25455506 0.83 ITGB3 (0.53) CTSGPLAUKLKB1CACNA1BITGB3
SCHEMBL25455200 0.82 EPHA2 (0.53) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL25455484 0.81 KLKB1 (0.56) CTSGPLAUKLKB1CACNA1BITGB3

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 CTSG 2091/4885PLAU 793/4885KLKB1 1100/4885

“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.