SCHEMBL5080075

SCHEMBL5080075

CC(C)OC(=O)OCOC(=O)OC(C)C.CCC(COC)(OCP(=O)(O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.50
CYP3A4 P08684 7/20 0.44
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.39
FGFR1 P11362 1/20 0.39
STING1 Q86WV6 3/20 0.38
ABCB11 O95342 1/20 0.37
POLA1 P09884 1/20 0.37
POLG P54098 1/20 0.37
CYP2D6 P10635 7/20 0.36
AHCY P23526 1/20 0.35

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
SCHEMBL5082373 0.92 FAP (0.51) FAPCYP3A4PI4KAPI4K2BPI4K2A
SCHEMBL5082989 0.91 FAP (0.51) FAPCYP3A4PI4KAPI4K2BPI4K2A
SCHEMBL5086069 0.82 PI4KA (0.43) FAPCYP3A4PI4KAPI4K2BPI4K2A
SCHEMBL5082477 0.80 FAP (0.39) FAPCYP3A4CYP2D6
SCHEMBL5083031 0.77 FAP (0.37) FAPCYP3A4CYP2D6
SCHEMBL5086122 0.76 TAS1R3 (0.39) FAPCYP3A4CYP2D6
SCHEMBL5086376 0.73 PI4KA (0.44) FAPCYP3A4PI4KAPI4K2BPI4K2A
SCHEMBL5082287 0.73 PI4KA (0.44) FAPCYP3A4PI4KAPI4K2BPI4K2A
SCHEMBL2449991 0.71 PI4KA (0.56) FAPCYP3A4PI4KAPI4K2BPI4K2A
Tenofovir Disoproxil SCHEMBL22157305 0.69 FAP (0.93) FAPCYP3A4CYP2D6

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E FAP 4556/4885CYP3A4 941/4885PI4KA 2684/4885

“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.