SCHEMBL24979440

SCHEMBL24979440

CC(C)(C)OC(=O)N1CCC(OC[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.54
MAPK1 P28482 2/20 0.51
P2RX7 Q99572 8/20 0.51
PPARA Q07869 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
NTSR1 P30989 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH1 P35367 1/20 0.48
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL22433813 0.93 YAP1 (0.56) YAP1MAPK1P2RX7PRMT5WDR77
SCHEMBL28610465 0.92 PPARA (0.55) YAP1MAPK1PPARAPRMT5WDR77
SCHEMBL28610466 0.92 PPARA (0.55) YAP1MAPK1PPARAPRMT5WDR77
SCHEMBL18788023 0.86 YAP1 (0.60) YAP1MAPK1P2RX7MAPTNTSR1
SCHEMBL20556236 0.86 YAP1 (0.60) YAP1MAPK1P2RX7MAPTNTSR1
SCHEMBL3008280 0.86 YAP1 (0.60) YAP1MAPK1P2RX7MAPTNTSR1
SCHEMBL12652625 0.86 YAP1 (0.60) YAP1MAPK1P2RX7MAPTNTSR1
SCHEMBL3008274 0.86 YAP1 (0.60) YAP1MAPK1P2RX7MAPTNTSR1
SCHEMBL24979441 0.86 PPARA (0.48) YAP1MAPK1P2RX7PPARA
SCHEMBL28610469 0.86 HTT (0.52) YAP1MAPK1PPARAHTT

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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP YAP1 1942/4885MAPK1 1114/4885P2RX7 2166/4885

“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.