SCHEMBL14017387

SCHEMBL14017387

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCc2ccccc2)C(O)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.83
P2RY2 P41231 4/20 0.83
P2RX1 P51575 2/20 0.83
P2RX3 P56373 2/20 0.83
ALDH1A1 P00352 2/20 0.83
SRC P12931 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
P2RX4 Q99571 1/20 0.83
P2RX2 Q9UBL9 1/20 0.83
TRPM2 O94759 2/20 0.81
MACROD2 A1Z1Q3 1/20 0.81
SIRT6 Q8N6T7 1/20 0.81
MACROD1 Q9BQ69 1/20 0.81
P2RY12 Q9H244 2/20 0.79
TAS1R3 Q7RTX0 2/20 0.72
TAS1R1 Q7RTX1 2/20 0.72
RNASEL Q05823 1/20 0.71
DNPH1 O43598 1/20 0.71
PRKAB2 O43741 1/20 0.71
LDHA P00338 1/20 0.71

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
SCHEMBL13614594 1.00 P2RY1 (0.83) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL14017382 1.00 P2RY1 (0.83) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL13614589 1.00 P2RY1 (0.83) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL10069136 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4363130 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL14205963 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4069414 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL2934890 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL6516963 0.91 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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
EP-2647382-A1 Compositions and methods for treating epithelial and retinal tissue diseases Inspire Pharmaceuticals, Inc. (US) 2013-10-09 EP 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-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 P2RY1 60/4885P2RY2 75/4885P2RX1 172/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY1 60/4885P2RY2 75/4885P2RX1 172/4885

“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.