SCHEMBL4425399

SCHEMBL4425399

O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NO)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.78
P2RX2 Q9UBL9 6/20 0.78
P2RX4 Q99571 2/20 0.78
GPR17 Q13304 1/20 0.77
P2RY1 P47900 5/20 0.72
P2RY2 P41231 3/20 0.72
P2RY6 Q15077 1/20 0.72
P2RY12 Q9H244 1/20 0.72
P2RX1 P51575 2/20 0.72
SRC P12931 1/20 0.72
ALDH1A1 P00352 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NT5E P21589 1/20 0.70
RNASEL Q05823 1/20 0.69
MACROD2 A1Z1Q3 1/20 0.67
SIRT6 Q8N6T7 1/20 0.67
MACROD1 Q9BQ69 1/20 0.67
TRPM2 O94759 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.65
TAS1R1 Q7RTX1 1/20 0.65

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
SCHEMBL14178286 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL14929510 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL624619 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL29353873 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL3502130 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL14946389 0.92 P2RX3 (0.79) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL31029196 0.91 P2RX3 (0.86) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL31396265 0.91 P2RX3 (0.77) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL29799399 0.89 P2RY1 (0.75) P2RX3P2RX2P2RX4GPR17P2RY1
SCHEMBL23078457 0.88 P2RX3 (0.75) P2RX3P2RX2P2RX4GPR17P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629320-B2 Nucleoside derivatives for treating hepatitis C virus infection SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629320-B2 Nucleoside derivatives for treating hepatitis C virus infection SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20080249060-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080249060-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7425547-B2 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. (US) 2008-09-16 US disclosed
US-7425547-B2 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. (US) 2008-09-16 US disclosed
US-20040147464-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-07-29 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-20080249060-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION HAVCR2, PNP, NTPCR P2RX3 1234/4885P2RX2 2406/4885P2RX4 2005/4885
US-20040147464-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR P2RX3 1234/4885P2RX2 2406/4885P2RX4 2005/4885

“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.