SCHEMBL22348807

SCHEMBL22348807

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1O)Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
POLB P06746 1/20 0.54
P2RY2 P41231 3/20 0.46
P2RY4 P51582 3/20 0.46
P2RY6 Q15077 2/20 0.46
BTN3A1 O00481 1/20 0.42
TYMS P04818 1/20 0.41
ST6GAL1 P15907 5/20 0.40

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
SCHEMBL23187755 1.00 CYP3A4 (0.55) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL25647927 1.00 CYP3A4 (0.55) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL23104998 1.00 CYP3A4 (0.55) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL22348843 0.94 POLB (0.55) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL22348842 0.94 POLB (0.55) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL22348858 0.93 POLB (0.53) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL22348859 0.93 POLB (0.53) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL20845806 0.93 CYP3A4 (0.53) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL19815762 0.93 POLB (0.57) CYP3A4CYP2C9POLBP2RY2P2RY4
SCHEMBL17451201 0.93 POLB (0.57) CYP3A4CYP2C9POLBP2RY2P2RY4

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-20210101923-A1 NUCLEIC ACID PRODRUGS AVALO THERAPEUTICS, INC. 2021-04-08 US disclosed
US-10745435-B2 Nucleic acid prodrugs CERECOR, INC. (US) 2020-08-18 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 (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-20210101923-A1 NUCLEIC ACID PRODRUGS NUDT1, PNP, TYMP CYP3A4 1074/4885CYP2C9 983/4885POLB 82/4885
US-10745435-B2 Nucleic acid prodrugs POLRMT, FPGS, POLN CYP3A4 1542/4885CYP2C9 1252/4885POLB 11/4885

“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.