SCHEMBL13614790

SCHEMBL13614790

O=C(O)CNCP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCC4)ncnc32)[C@@H](O)C1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
ADORA1 P30542 7/20 0.60
P2RY12 Q9H244 3/20 0.60
GPR17 Q13304 1/20 0.58
P2RY2 P41231 1/20 0.57
P2RY1 P47900 1/20 0.57
P2RY6 Q15077 1/20 0.57
ADORA3 P0DMS8 4/20 0.54
DNPH1 O43598 1/20 0.53
NT5E P21589 3/20 0.53
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
PLCG1 P19174 1/20 0.52
ENPP1 P22413 1/20 0.52

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
SCHEMBL13614759 0.94 GPR17 (0.63) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614794 0.93 TAS1R3 (0.65) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614793 0.91 TAS1R3 (0.67) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614787 0.90 TAS1R3 (0.69) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614756 0.89 GPR17 (0.65) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614767 0.87 P2RY12 (0.62) TAS1R3TAS1R1ADORA1P2RY12P2RY2
SCHEMBL13614795 0.87 TAS1R3 (0.66) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614785 0.87 TAS1R3 (0.70) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614754 0.87 GPR17 (0.67) TAS1R3TAS1R1ADORA1P2RY12GPR17
SCHEMBL13614786 0.87 P2RY12 (0.69) TAS1R3TAS1R1ADORA1P2RY12GPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 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-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds PNKP, ENTPD5, ENPP1 TAS1R3 4619/4885TAS1R1 4739/4885ADORA1 691/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 TAS1R3 4619/4885TAS1R1 4739/4885ADORA1 691/4885

“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.