SCHEMBL30729635

SCHEMBL30729635

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@H](CS)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
ABHD6 Q9BV23 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
HTT P42858 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL29088850 1.00 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4
SCHEMBL30729624 1.00 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4
SCHEMBL17068124 0.90 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL778980 0.90 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL21594462 0.90 PARP1 (0.63) PARP1PDK1PDK2PDK3PDK4
SCHEMBL4828910 0.90 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL19959259 0.90 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL38665073 0.90 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL22034173 0.89 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4
SCHEMBL4822660 0.89 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4

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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 PARP1 14/4885PDK1 269/4885PDK2 1166/4885

“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.