SCHEMBL13614567

SCHEMBL13614567

O=C(Nc1ccn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)Cc3ccccc3)O2)c(=O)n1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 15/20 0.54
P2RY4 P51582 14/20 0.54
P2RY2 P41231 13/20 0.54
DUT P33316 1/20 0.52
NT5E P21589 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL13614925 1.00 P2RY6 (0.54) P2RY6P2RY4P2RY2DUTNT5E
SCHEMBL14017357 0.94 P2RY6 (0.56) P2RY6P2RY4P2RY2DUTNT5E
SCHEMBL14400530 0.94 P2RY6 (0.56) P2RY6P2RY4P2RY2DUTNT5E
SCHEMBL29085432 0.89 NT5E (0.54) P2RY6P2RY4P2RY2DUTNT5E
SCHEMBL13614535 0.83 POLB (0.60) P2RY6P2RY4P2RY2DUTNT5E
SCHEMBL14017366 0.83 POLB (0.60) P2RY6P2RY4P2RY2DUTNT5E
Triphosphate SCHEMBL28434967 0.82 POLB (0.59) P2RY6P2RY4P2RY2NT5EPOLB
SCHEMBL20974957 0.82 POLB (0.59) P2RY6P2RY4P2RY2NT5EPOLB
SCHEMBL25014814 0.82 POLB (0.57) P2RY6P2RY4P2RY2NT5EPOLB
SCHEMBL29085431 0.82 POLB (0.57) P2RY6P2RY4P2RY2NT5EPOLB

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 P2RY6 39/4885P2RY4 74/4885P2RY2 75/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY6 39/4885P2RY4 74/4885P2RY2 75/4885

“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.