SCHEMBL13614535

SCHEMBL13614535

O=C(Nc1ccn([C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCc3ccccc3)O2)c(=O)n1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
P2RY6 Q15077 16/20 0.51
P2RY4 P51582 14/20 0.51
P2RY2 P41231 13/20 0.51
NT5E P21589 1/20 0.43
P2RY14 Q15391 1/20 0.43
DUT P33316 1/20 0.43

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
SCHEMBL14017366 1.00 POLB (0.60) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL14017357 0.89 P2RY6 (0.56) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL14400530 0.89 P2RY6 (0.56) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL13629375 0.87 POLB (0.64) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL13614531 0.87 POLB (0.64) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL13614567 0.83 P2RY6 (0.54) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL13614925 0.83 P2RY6 (0.54) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL29085432 0.81 NT5E (0.54) POLBP2RY6P2RY4P2RY2NT5E
SCHEMBL16325834 0.80 POLB (0.52) POLBP2RY6P2RY4P2RY2
SCHEMBL13614916 0.80 POLB (0.52) POLBP2RY6P2RY4P2RY2

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 POLB 160/4885P2RY6 39/4885P2RY4 74/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 POLB 160/4885P2RY6 39/4885P2RY4 74/4885

“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.