SCHEMBL25515948

SCHEMBL25515948

CC(=N)N(C)CC(=O)OCC(COC(=O)CN(C)C(=N)N)OC(=O)CN(C)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRKCA P17252 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
ENPP2 Q13822 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13850903 0.94 ALDH1A1 (0.39) ALDH1A1LMNAPRKCANOS3NOS1
SCHEMBL25515949 0.87 NOS3 (0.31) NOS3NOS1NOS2CA12CA1
SCHEMBL19152039 0.85 ALDH1A1 (0.33) ALDH1A1LMNAPRKCANOS3NOS1
SCHEMBL25515864 0.80 CA1 (0.34) NOS3NOS1NOS2CA12CA1
SCHEMBL24450210 0.80 ALDH1A1 (0.65) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19670823 0.78 MAPT (0.40) ALDH1A1PRKCANOS3NOS1NOS2
SCHEMBL4586536 0.78 CA1 (0.37) ALDH1A1NOS3NOS1NOS2CA12
SCHEMBL12261562 0.78 CA1 (0.37) LMNANOS3NOS1NOS2CA12
SCHEMBL25515999 0.78 NOS3 (0.40) NOS3NOS1NOS2CA12CA1
SCHEMBL18119724 0.77 NOS3 (0.41) NOS3NOS1NOS2CA12CA1

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-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF VIREO SYSTEMS, INC. (US) 2023-05-25 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-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF PC, PCK2, MAVS ALDH1A1 2051/4885LMNA 1859/4885PRKCA 167/4885

“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.