SCHEMBL25455286

SCHEMBL25455286

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.52
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA5 P08648 1/20 0.52
ITGB5 P18084 1/20 0.52
PLAU P00749 3/20 0.49
SLC6A3 Q01959 1/20 0.49
EPHA2 P29317 1/20 0.48
LDLR P01130 2/20 0.48
PCSK9 Q8NBP7 2/20 0.48
KLHL20 Q9Y2M5 1/20 0.47
CTSG P08311 1/20 0.47
CACNA1B Q00975 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
SCHEMBL25455205 0.97 ITGB3 (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455512 0.97 KLKB1 (0.50) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455193 0.96 ITGB3 (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455514 0.96 KLKB1 (0.50) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25457461 0.96 KLKB1 (0.49) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455401 0.94 KLKB1 (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455264 0.94 KLKB1 (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455236 0.94 PLAU (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25455263 0.94 KLKB1 (0.52) KLKB1ITGB3ITGB1ITGAVITGA5
SCHEMBL25457240 0.94 PLAU (0.51) KLKB1ITGB3ITGB1ITGAVITGA5

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 1100/4885ITGB3 22/4885ITGB1 8/4885

“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.