Sugi Predict

Sugi Predict / Compounds / SCHEMBL25455271

SCHEMBL25455271

SCHEMBL25455271

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)OCCCCCCO/N=C/C(=O)N[C@@H](CCC(N)=O)C(=O)N2)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.47
▸ KLKB1 P03952 13/20 0.46
▸ KLHL20 Q9Y2M5 1/20 0.43
▸ EPHA2 P29317 2/20 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
SCHEMBL25455942 0.98 PLAU (0.47) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455257 0.95 EPHA2 (0.46) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455516 0.95 PLAU (0.49) PLAUKLKB1EPHA2
SCHEMBL25455450 0.94 PLAU (0.51) PLAUKLKB1KLHL20EPHA2
SCHEMBL25457399 0.94 PLAU (0.44) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455242 0.94 EPHA2 (0.45) PLAUKLKB1KLHL20EPHA2
SCHEMBL25459164 0.93 EPHA2 (0.47) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455285 0.93 PLAU (0.49) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455986 0.93 PLAU (0.49) PLAUKLKB1KLHL20EPHA2
SCHEMBL25455211 0.91 PLAU (0.48) PLAUKLKB1KLHL20EPHA2

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 PLAU 793/4885KLKB1 1100/4885KLHL20 4508/4885

“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.