SCHEMBL21136243

SCHEMBL21136243

CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1[C@@H](C)[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H](F)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HINT1 P49773 2/20 0.40
BTN3A1 O00481 2/20 0.40
SERPINA3 P01011 1/20 0.37
NT5E P21589 5/20 0.36
HSP90B1 P14625 1/20 0.34

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
SCHEMBL22224867 1.00 CYP3A4 (0.42) CYP3A4CYP2C9HINT1BTN3A1SERPINA3
SCHEMBL22224868 1.00 CYP3A4 (0.42) CYP3A4CYP2C9HINT1BTN3A1SERPINA3
SCHEMBL21136524 1.00 CYP3A4 (0.42) CYP3A4CYP2C9HINT1BTN3A1SERPINA3
SCHEMBL21136521 1.00 CYP3A4 (0.42) CYP3A4CYP2C9HINT1BTN3A1SERPINA3
SCHEMBL22224552 0.94 CYP3A4 (0.42) CYP3A4CYP2C9HINT1BTN3A1SERPINA3
SCHEMBL22224961 0.91 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL21136919 0.91 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL21136219 0.91 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL22224959 0.91 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1NT5E
SCHEMBL22224825 0.91 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1NT5E

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 4118/4885HINT1 296/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CYP3A4 2594/4885CYP2C9 4144/4885HINT1 293/4885

“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.