SCHEMBL5936035

SCHEMBL5936035

CC(C)(C)OC(=O)N[C@H]1CCN(C2COCCN2C(=O)CCC(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
BTK Q06187 1/20 0.34
FPR2 P25090 3/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
ACE P12821 1/20 0.33
DRD2 P14416 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KCNA3 P22001 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
CCR2 P41597 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL5936031 0.78 GAA (0.38) GAAFPR2F2F10PRSS1
SCHEMBL5936045 0.78 GAA (0.38) GAAFPR2F2F10PRSS1
SCHEMBL10265456 0.76 GAA (0.49) GAABTKFPR2F2F10
SCHEMBL31291969 0.69 FPR2 (0.50) GAABTKFPR2F2F10
SCHEMBL8081478 0.68 F2 (0.51) GAABTKFPR2F2F10
SCHEMBL7292123 0.68 F2 (0.51) GAABTKFPR2F2F10
SCHEMBL13675582 0.68 FPR2 (0.49) GAABTKFPR2F2F10
SCHEMBL33525732 0.68 FPR2 (0.51) GAABTKFPR2F2F10
SCHEMBL2597028 0.68 FPR2 (0.54) GAAFPR2F2F10PRSS1
SCHEMBL15023292 0.68 FPR2 (0.53) GAABTKFPR2F2F10

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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 GAA 1636/4885BTK 602/4885FPR2 642/4885

“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.