SCHEMBL13614772

SCHEMBL13614772

CCP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H](O)C1O

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.86
P2RY2 P41231 2/20 0.81
P2RY1 P47900 1/20 0.81
P2RY6 Q15077 1/20 0.81
DNPH1 O43598 3/20 0.70
BMPR1B O00238 1/20 0.69
P2RX3 P56373 2/20 0.65
P2RX2 Q9UBL9 2/20 0.65
P2RX4 Q99571 1/20 0.65
NT5E P21589 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56

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
SCHEMBL13614775 0.94 P2RY12 (0.84) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614778 0.93 P2RY12 (0.85) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614771 0.93 P2RY12 (0.88) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614773 0.91 P2RY12 (0.82) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614783 0.91 P2RY12 (0.82) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614774 0.90 P2RY12 (0.80) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614782 0.90 P2RY12 (0.80) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614740 0.90 P2RY12 (0.88) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614750 0.89 P2RY12 (0.83) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13614742 0.88 P2RY12 (0.86) P2RY12P2RY2P2RY1P2RY6DNPH1

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 P2RY12 65/4885P2RY2 75/4885P2RY1 60/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY12 65/4885P2RY2 75/4885P2RY1 60/4885

“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.