SCHEMBL12222452

SCHEMBL12222452

CC1[C@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.64
P2RX4 Q99571 3/20 0.64
P2RX2 Q9UBL9 3/20 0.64
ENPP1 P22413 1/20 0.59
GSK3A P49840 2/20 0.59
RPS6KA3 P51812 2/20 0.59
MAPK14 Q16539 2/20 0.59
ABCB1 P08183 1/20 0.57
P2RX1 P51575 2/20 0.56
P2RX7 Q99572 2/20 0.56
P2RX6 O15547 1/20 0.56
P2RX5 Q93086 1/20 0.56
P2RY11 Q96G91 1/20 0.56
LMNA P02545 1/20 0.53
ADORA1 P30542 2/20 0.51

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
SCHEMBL9189337 0.92 P2RX3 (0.75) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL12352429 0.92 P2RX3 (0.75) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL12243789 0.92 P2RX3 (0.75) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL13169185 0.92 P2RX3 (0.75) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL5794949 0.90 ENPP1 (0.71) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL532930 0.90 ENPP1 (0.71) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL5983100 0.90 ENPP1 (0.71) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL532929 0.90 ENPP1 (0.71) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL532424 0.90 P2RX3 (0.69) P2RX3P2RX4P2RX2ENPP1GSK3A
SCHEMBL12352420 0.90 P2RX3 (0.69) P2RX3P2RX4P2RX2ENPP1GSK3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2011-10-20 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-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885

“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.