SCHEMBL25457750

SCHEMBL25457750

CC[C@H](C)[C@@H]1NC(=O)C(C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)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](CO)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.45
EPHA2 P29317 4/20 0.45
PLAU P00749 4/20 0.42
CACNA1B Q00975 1/20 0.42
CTSG P08311 2/20 0.40
GRB2 P62993 1/20 0.39
KLHL20 Q9Y2M5 1/20 0.38

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
SCHEMBL25455467 1.00 KLKB1 (0.45) KLKB1EPHA2PLAUCACNA1BCTSG
SCHEMBL25455478 0.86 KLKB1 (0.53) KLKB1PLAUCACNA1BCTSG
SCHEMBL25455242 0.84 EPHA2 (0.45) KLKB1EPHA2PLAUKLHL20
SCHEMBL25455440 0.83 KLHL20 (0.54) KLKB1PLAUKLHL20
SCHEMBL25456028 0.82 KLKB1 (0.50) KLKB1PLAUKLHL20
SCHEMBL25457484 0.82 KLHL20 (0.51) KLKB1PLAUKLHL20
SCHEMBL25455271 0.82 PLAU (0.47) KLKB1EPHA2PLAUKLHL20
SCHEMBL25455298 0.82 KLHL20 (0.51) KLKB1PLAUKLHL20
SCHEMBL25457616 0.81 KLHL20 (0.53) KLKB1PLAUCTSGKLHL20
SCHEMBL25455942 0.81 PLAU (0.47) KLKB1EPHA2PLAUKLHL20

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 KLKB1 1100/4885EPHA2 579/4885PLAU 793/4885

“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.