SCHEMBL25753951

SCHEMBL25753951

CC(C)C#CCNC(=O)COCCOC(C)(COc1cccc(C(=O)NCCOCCOCCOCCCNC(C)C)c1)SSC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 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
SCHEMBL26068370 0.94 GAA (0.37) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22598242 0.94 GAA (0.38) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22327226 0.94 GAA (0.38) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22598257 0.94 GAA (0.38) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22598234 0.94 MAOB (0.35) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL24849663 0.92 GAA (0.38) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL26167728 0.92 GAA (0.36) GAAMAPTMAOBALDH1A1MCHR1
SCHEMBL25753981 0.92 MAPT (0.38) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL25753738 0.90 MAOB (0.40) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22598364 0.89 ALDH1A1 (0.35) GAAMAPTMAOBALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 — — US disclosed
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 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 (2 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-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885MAOB 1827/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885MAOB 1827/4885

“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.

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