SCHEMBL13614755

SCHEMBL13614755

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.63
P2RY1 P47900 4/20 0.62
P2RY12 Q9H244 3/20 0.62
P2RY2 P41231 3/20 0.62
P2RY6 Q15077 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
ADORA1 P30542 4/20 0.57
P2RX3 P56373 5/20 0.55
P2RX2 Q9UBL9 4/20 0.55
P2RX4 Q99571 2/20 0.55
P2RX1 P51575 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SRC P12931 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EZH2 Q15910 1/20 0.52
MACROD2 A1Z1Q3 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
MACROD1 Q9BQ69 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
SCHEMBL13614800 0.94 TAS1R3 (0.63) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614754 0.90 GPR17 (0.67) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614756 0.89 GPR17 (0.65) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614734 0.88 P2RY12 (0.64) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614758 0.88 GPR17 (0.66) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614749 0.88 GPR17 (0.69) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614759 0.88 GPR17 (0.63) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614753 0.88 P2RY12 (0.68) GPR17P2RY1P2RY12P2RY2P2RY6
SCHEMBL13614744 0.88 P2RY12 (0.81) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614793 0.86 TAS1R3 (0.67) GPR17P2RY1P2RY12P2RY2P2RY6

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 GPR17 1564/4885P2RY1 60/4885P2RY12 65/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 GPR17 1564/4885P2RY1 60/4885P2RY12 65/4885

“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.