SCHEMBL26489244

SCHEMBL26489244

CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
CTSK P43235 8/20 0.44
CTSS P25774 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SYK P43405 1/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1731214 1.00 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL561366 0.91 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL28985217 0.88 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL9334932 0.86 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25448807 0.85 CA1 (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL6275732 0.84 CA12 (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL21603014 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2958183 0.83 CA1 (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL17439189 0.82 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL5777882 0.81 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK

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-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 US disclosed
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 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-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS PHOSPHO1, SGMS1, PLIN3 CYP1A2 4569/4885CYP2C9 3537/4885CYP2C19 4216/4885

“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.