SCHEMBL21136231

SCHEMBL21136231

CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1[C@@H](C)[C@@H](n2cnc3c(N)ncnc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
BTN3A1 O00481 1/20 0.39
AHCY P23526 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
FAP Q12884 2/20 0.37
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL22224910 1.00 CYP3A4 (0.44) CYP3A4CYP2C9BTN3A1AHCYADORA3
SCHEMBL21136329 0.93 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL21136331 0.93 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL22224777 0.91 CYP3A4 (0.43) CYP3A4CYP2C9BTN3A1
SCHEMBL21136556 0.89 CYP3A4 (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL21136229 0.87 AHCY (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL21136924 0.87 AHCY (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL22224906 0.87 AHCY (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL21136252 0.87 AHCY (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP
SCHEMBL30076871 0.87 AHCY (0.43) CYP3A4CYP2C9BTN3A1AHCYFAP

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-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment Atea Pharmaceuticals, Inc. (US) 2021-03-16 US disclosed
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2019-07-04 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-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment NSUN2, ADAR, NSUN3 CYP3A4 2535/4885CYP2C9 4118/4885BTN3A1 4363/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CYP3A4 2594/4885CYP2C9 4144/4885BTN3A1 4288/4885

“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.