SCHEMBL5355528

SCHEMBL5355528

CCOC[C@H]1OC(OC)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL5354914 1.00 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL7799360 0.84 SMN1; SMN2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL5695104 0.84 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL5367628 0.84 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL5358550 0.84 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL10305250 0.84 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL21449039 0.82 CA2 (0.34) CA2CA1CA9
SCHEMBL8322168 0.82 CA2 (0.34) CA2CA1CA9
SCHEMBL17170416 0.82 CA2 (0.34) CA2CA1CA9
SCHEMBL2621335 0.82 CA2 (0.34) CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 US disclosed
US-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2004-07-01 US disclosed
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS TOWNSEND LEROY B (US) 2001-08-02 US disclosed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 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-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them ADORA2A, ADORA3, ADORA1 CA2 1681/4885CA1 4117/4885CA9 3524/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 CA2 3725/4885CA1 4050/4885CA9 4002/4885

“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.