SCHEMBL29323510

SCHEMBL29323510

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1(C)O)Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
P2RY2 P41231 4/20 0.44
P2RY6 Q15077 3/20 0.44
P2RY14 Q15391 2/20 0.44
BTN3A1 O00481 1/20 0.41
NT5E P21589 1/20 0.40
ENTPD2 Q9Y5L3 2/20 0.39
P2RY4 P51582 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
P2RY12 Q9H244 2/20 0.37

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
SCHEMBL29323333 1.00 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL29324126 1.00 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL29997917 1.00 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL27087657 0.92 CYP3A4 (0.60) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL27087655 0.92 CYP3A4 (0.60) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL18416491 0.90 CYP3A4 (0.66) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987241 0.89 CYP3A4 (0.70) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL21511188 0.87 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987156 0.87 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL19987240 0.87 CYP3A4 (0.68) CYP3A4CYP2C9P2RY2P2RY6P2RY14

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-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES EMORY UNIVERSITY 2024-07-18 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-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES MTAP, PNP, SARS1 CYP3A4 2707/4885CYP2C9 2638/4885P2RY2 177/4885

“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.