SCHEMBL25833918

SCHEMBL25833918

CCCn1ncc(NC(=O)OC(C)(C)C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
ATR Q13535 1/20 0.38
KDM4E B2RXH2 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
IDO1 P14902 1/20 0.33
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL18209904 0.89 CNR2 (0.37) CNR2ATRKDM4EGSK3BDYRK1A
SCHEMBL20401167 0.88 DRD2 (0.39) CNR2ATRKDM4EMEN1GAA
SCHEMBL24255818 0.83 CNR2 (0.53) CNR2ATRKDM4EGSK3BDYRK1A
SCHEMBL25750456 0.75 GSK3B (0.37) CNR2KDM4EGSK3BDYRK1AHSD17B10
SCHEMBL31017361 0.75 GSK3B (0.37) CNR2KDM4EGSK3BDYRK1AHSD17B10
SCHEMBL22322779 0.74 CNR2 (0.40) CNR2ATRKDM4EGSK3BDYRK1A
SCHEMBL20139538 0.72 DRD2 (0.40) KDM4EMEN1GAAKMT2ANPSR1
SCHEMBL28201286 0.71 GSK3B (0.35) CNR2KDM4EGSK3BDYRK1ACYP3A4
SCHEMBL30899668 0.71 GSK3B (0.44) CNR2GSK3BDYRK1AMAPKAPK2IDO1
SCHEMBL2173526 0.70 MAPK1 (0.41) CNR2GSK3BDYRK1AIDO1BRD9

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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 CNR2 2842/4885ATR 4715/4885KDM4E 4053/4885

“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.