SCHEMBL13614906

SCHEMBL13614906

O=C(Nc1ccccc1)O[C@H]1C(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Cc2cccc3ccccc23)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 17/20 0.57
P2RY12 Q9H244 2/20 0.56
P2RY6 Q15077 8/20 0.54
P2RY4 P51582 7/20 0.54
P2RY14 Q15391 2/20 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
SCHEMBL13614560 1.00 P2RY2 (0.57) P2RY2P2RY12P2RY6P2RY4P2RY14
SCHEMBL13614455 0.89 P2RY2 (0.56) P2RY2P2RY12P2RY6P2RY4P2RY14
SCHEMBL13614826 0.89 P2RY2 (0.56) P2RY2P2RY12P2RY6P2RY4P2RY14
SCHEMBL13614876 0.86 P2RY2 (0.73) P2RY2P2RY6P2RY4P2RY14
SCHEMBL13614883 0.86 P2RY2 (0.73) P2RY2P2RY6P2RY4P2RY14
SCHEMBL13614551 0.86 P2RY2 (0.73) P2RY2P2RY6P2RY4P2RY14
SCHEMBL13614545 0.86 P2RY2 (0.73) P2RY2P2RY6P2RY4P2RY14
SCHEMBL13614443 0.86 P2RY2 (0.62) P2RY2P2RY12P2RY6P2RY4P2RY14
SCHEMBL13614806 0.86 P2RY2 (0.62) P2RY2P2RY12P2RY6P2RY4P2RY14
SCHEMBL13614557 0.86 P2RY2 (0.60) P2RY2P2RY12P2RY6P2RY4P2RY14

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 6 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-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 P2RY2 75/4885P2RY12 65/4885P2RY6 39/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY2 75/4885P2RY12 65/4885P2RY6 39/4885

“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.