SCHEMBL23067828

SCHEMBL23067828

CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.38
EGLN3 Q9H6Z9 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP17A1 P05093 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP26A1 O43174 1/20 0.32
ATM Q13315 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
SCHEMBL4671255 0.91 P2RY12 (0.35) TDP1CYP17A1MEN1KMT2AP2RY12
SCHEMBL4671250 0.91 P2RY12 (0.35) TDP1CYP17A1MEN1KMT2AP2RY12
SCHEMBL4674105 0.91 P2RY12 (0.35) TDP1CYP17A1MEN1KMT2AP2RY12
SCHEMBL18516015 0.84 MEN1 (0.34) TDP1CYP17A1MEN1KMT2ACYP26A1
SCHEMBL24591255 0.83 HRH4 (0.45) MEN1KMT2ACYP26A1
SCHEMBL23067830 0.83 P2RY12 (0.38) CYP17A1P2RY12
SCHEMBL19742233 0.83 FOLH1 (0.49)
SCHEMBL19742232 0.83 FOLH1 (0.49)
SCHEMBL15653973 0.83 CYP17A1 (0.34) TDP1CYP17A1MEN1KMT2ACYP26A1
SCHEMBL19742218 0.82 FOLH1 (0.49) EGLN3

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-20210070695-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2021-03-11 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-20210070695-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS TBXAS1 3018/4885EGLN3 3294/4885TDP1 3411/4885

“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.