SCHEMBL5848925

SCHEMBL5848925

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccccc2)[C@H]1O

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.94
P2RX3 P56373 7/20 0.88
P2RX4 Q99571 6/20 0.88
P2RX2 Q9UBL9 5/20 0.88
P2RX1 P51575 4/20 0.81
P2RX7 Q99572 3/20 0.81
P2RY11 Q96G91 2/20 0.81
P2RX6 O15547 1/20 0.81
P2RX5 Q93086 1/20 0.81
P2RY1 P47900 3/20 0.68
P2RY2 P41231 2/20 0.68
SRC P12931 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
RNASEL Q05823 1/20 0.68
MACROD2 A1Z1Q3 1/20 0.64
SIRT6 Q8N6T7 1/20 0.64
MACROD1 Q9BQ69 1/20 0.64
TRPM2 O94759 1/20 0.64

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
SCHEMBL19255493 0.97 ENPP1 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL19248226 0.97 ENPP1 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL3682844 0.97 ENPP1 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL1441797 0.97 ENPP1 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL29381827 0.97 ENPP1 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL29810828 0.96 ENPP1 (0.99) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL5847070 0.94 P2RX3 (0.91) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL5847412 0.94 P2RX3 (1.00) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL29524069 0.93 ENPP1 (0.92) ENPP1P2RX3P2RX4P2RX2P2RX1
SCHEMBL30181339 0.91 P2RX3 (0.89) ENPP1P2RX3P2RX4P2RX2P2RX1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084128-B2 Method for reducing intraocular pressure INSPIRE PHARMACEUTICALS, INC. (US) 2006-08-01 US claimed
US-6881725-B2 Method for treating pain INSPIRE PHARMACEUTICALS INC. (US) 2005-04-19 US claimed
US-20030186928-A1 Method for reducing intraocular pressure INSPIRE PHARMACEUTICALS, INC. 2003-10-02 US claimed
EP-1348466-A2 Method for treating pain with adenosine-tetraphosphates Inspire Pharmaceuticals, Inc. (US) 2003-10-01 EP claimed
US-20030158147-A1 Method for treating pain INSPIRE PHARMACEUTICALS INC. 2003-08-21 US claimed
US-7084128-B2 Method for reducing intraocular pressure INSPIRE PHARMACEUTICALS, INC. (US) 2006-08-01 US disclosed
US-6881725-B2 Method for treating pain INSPIRE PHARMACEUTICALS INC. (US) 2005-04-19 US disclosed
US-20030186928-A1 Method for reducing intraocular pressure INSPIRE PHARMACEUTICALS, INC. 2003-10-02 US disclosed
EP-1348466-A2 Method for treating pain with adenosine-tetraphosphates Inspire Pharmaceuticals, Inc. (US) 2003-10-01 EP disclosed
US-20030158147-A1 Method for treating pain INSPIRE PHARMACEUTICALS INC. 2003-08-21 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-20030158147-A1 Method for treating pain P2RX2, P2RX3, P2RX5 ENPP1 29/4885P2RX3 2/4885P2RX4 7/4885
US-20030186928-A1 Method for reducing intraocular pressure P2RY1, P2RY11, P2RY6 ENPP1 77/4885P2RX3 7/4885P2RX4 20/4885

“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.