SCHEMBL25455469

SCHEMBL25455469

CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSCc3cc(cc(c3)OCCCCCCO/N=C/C(=O)N[C@@H](C)C(=O)N2)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSG P08311 4/20 0.56
PLAU P00749 2/20 0.55
EPHA2 P29317 2/20 0.52
CACNA1B Q00975 1/20 0.50
GRB7 Q14451 2/20 0.48
KLKB1 P03952 4/20 0.48
KLK2 P20151 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
ALB P02768 1/20 0.46
ELANE P08246 4/20 0.46

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
SCHEMBL25457756 1.00 CTSG (0.56) CTSGPLAUEPHA2CACNA1BGRB7
SCHEMBL25455401 0.84 KLKB1 (0.52) CTSGPLAUKLKB1
SCHEMBL25455264 0.84 KLKB1 (0.52) CTSGPLAUKLKB1
SCHEMBL25455286 0.82 KLKB1 (0.52) CTSGPLAUEPHA2CACNA1BKLKB1
SCHEMBL25455467 0.80 KLKB1 (0.45) CTSGPLAUEPHA2CACNA1BKLKB1
SCHEMBL25457750 0.80 KLKB1 (0.45) CTSGPLAUEPHA2CACNA1BKLKB1
SCHEMBL25455455 0.80 EPHA2 (0.45) CTSGPLAUEPHA2CACNA1BGRB7
SCHEMBL25455263 0.80 KLKB1 (0.52) CTSGKLKB1KLK2ST14
SCHEMBL25455481 0.79 CTSG (0.54) CTSGPLAUCACNA1BKLKB1KLK2
SCHEMBL25455440 0.79 KLHL20 (0.54) PLAUKLKB1

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 793/4885EPHA2 579/4885

“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.