SCHEMBL21999424

SCHEMBL21999424

CC(C)(N)N1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 2/20 0.32
HSP90AA1 P07900 2/20 0.31
CCR6 P51684 1/20 0.31
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
RUNX1 Q01196 1/20 0.30
ATM Q13315 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
SCHEMBL9774898 0.77 MGLL (0.45) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL152557 0.77 MGLL (0.45) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL22308525 0.74 MGLL (0.34) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL709031 0.72 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL18461453 0.72 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL8097847 0.72 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL19632028 0.72 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL28318903 0.72 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL21776243 0.72 MGLL (0.37) MGLLGSK3AGSK3BALDH1A1GMNN
SCHEMBL23760558 0.71 GSK3A (0.31) MGLLGSK3AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 US disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 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 (2 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-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA MGLL 4214/4885GSK3A 4548/4885GSK3B 4523/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA MGLL 4214/4885GSK3A 4548/4885GSK3B 4523/4885

“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.