SCHEMBL25098686

SCHEMBL25098686

CC(C)C(=O)N[C@H](CN1C[C@@H]2C[C@H]1CO2)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 4/20 0.32
GSK3B P49841 4/20 0.32
DYRK1A Q13627 4/20 0.32
CCR3 P51677 1/20 0.31
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30

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
SCHEMBL25099319 1.00 WNT1 (0.32) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL24369857 1.00 WNT1 (0.32) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL25098954 1.00 WNT1 (0.32) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL25098685 1.00 WNT1 (0.32) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL25098675 1.00 WNT1 (0.32) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL25098684 0.88 BACE1 (0.35) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL24369858 0.88 BACE1 (0.35) WNT1GSK3BDYRK1ACCR3TP53
SCHEMBL25098949 0.86 WNT1 (0.33) WNT1GSK3BDYRK1ATP53MDM2
SCHEMBL24820178 0.73 PIK3CD (0.37) WNT1GSK3BDYRK1ATP53MDM2
SCHEMBL23374669 0.73 PIK3CD (0.37) WNT1GSK3BDYRK1ATP53MDM2

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 WNT1 2858/4885GSK3B 1141/4885DYRK1A 4296/4885

“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.