SCHEMBL23187769

SCHEMBL23187769

CC(C)OC(=O)[C@H](C)NP(=O)(OCC1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
P2RY2 P41231 1/20 0.51
P2RY4 P51582 1/20 0.51
P2RY6 Q15077 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HINT1 P49773 1/20 0.44
TYMP P19971 1/20 0.44
TGM2 P21980 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NT5E P21589 2/20 0.42
F2 P00734 2/20 0.42
KRAS P01116 1/20 0.42
TYMS P04818 1/20 0.42

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
SCHEMBL21162576 1.00 POLB (0.57) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL22348826 1.00 POLB (0.57) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL29944545 1.00 POLB (0.57) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL22348827 0.95 POLB (0.58) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL22348824 0.95 POLB (0.58) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL22348815 0.94 POLB (0.56) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL22348813 0.94 POLB (0.56) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL25715926 0.93 CYP3A4 (0.48) POLBP2RY2P2RY4P2RY6CYP3A4
SCHEMBL20503193 0.93 POLB (0.60) POLBP2RY2P2RY4P2RY6TAS1R3
SCHEMBL20503195 0.93 POLB (0.60) POLBP2RY2P2RY4P2RY6TAS1R3

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-20210139525-A1 NUCLEOTIDE PRODRUGS CERECOR INC (US) 2021-05-13 US disclosed
US-20210101923-A1 NUCLEIC ACID PRODRUGS AVALO THERAPEUTICS, INC. 2021-04-08 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 (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-20210139525-A1 NUCLEOTIDE PRODRUGS FPGS, DPYD, NME4 POLB 110/4885P2RY2 401/4885P2RY4 374/4885
US-20210101923-A1 NUCLEIC ACID PRODRUGS NUDT1, PNP, TYMP POLB 82/4885P2RY2 212/4885P2RY4 179/4885

“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.