SCHEMBL25455484

SCHEMBL25455484

CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCc3cc(cc(c3)CSC[C@@H](C(N)=O)NC1=O)CO/N=C\C(=O)N[C@@H](C)C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.56
PLAU P00749 5/20 0.56
CTSG P08311 2/20 0.52
CACNA1B Q00975 1/20 0.47
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
F10 P00742 1/20 0.42
F11 P03951 1/20 0.42
KLK1 P06870 1/20 0.42
KLK2 P20151 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK13 Q9UKR3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL25457836 0.98 KLKB1 (0.55) KLKB1PLAUCTSGCACNA1BITGB3
SCHEMBL25455478 0.92 KLKB1 (0.53) KLKB1PLAUCTSGCACNA1BITGB3
SCHEMBL25455481 0.81 CTSG (0.54) KLKB1PLAUCTSGCACNA1BITGB3
SCHEMBL25455427 0.81 KLKB1 (0.55) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL25457750 0.77 KLKB1 (0.45) KLKB1PLAUCTSGCACNA1B
SCHEMBL25455467 0.77 KLKB1 (0.45) KLKB1PLAUCTSGCACNA1B
SCHEMBL25455173 0.77 KLKB1 (0.56) KLKB1PLAU
SCHEMBL25456913 0.77 KLKB1 (0.51) KLKB1PLAUCTSG
SCHEMBL25455200 0.76 EPHA2 (0.53) KLKB1PLAUITGB3ITGB1ITGAV
SCHEMBL21663884 0.70 PLAU (0.52) KLKB1PLAUCTSGCACNA1B

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 2 patents. 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
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 793/4885CTSG 2091/4885

“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.