SCHEMBL5847412

SCHEMBL5847412

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 1.00
P2RX4 Q99571 7/20 1.00
P2RX2 Q9UBL9 5/20 1.00
ENPP1 P22413 1/20 0.83
P2RX1 P51575 5/20 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
RNASEL Q05823 1/20 0.65
P2RY1 P47900 4/20 0.65
P2RY2 P41231 3/20 0.65
P2RY12 Q9H244 2/20 0.65
SRC P12931 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL5847070 0.94 P2RX3 (0.91) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL5848925 0.94 ENPP1 (0.94) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL5613282 0.91 P2RX3 (0.89) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL3682844 0.91 ENPP1 (1.00) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL4563043 0.91 P2RX3 (0.89) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL19255493 0.91 ENPP1 (1.00) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL30181339 0.91 P2RX3 (0.89) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL29381827 0.91 ENPP1 (1.00) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL19248226 0.91 ENPP1 (1.00) P2RX3P2RX4P2RX2ENPP1P2RX1
SCHEMBL1441797 0.91 ENPP1 (1.00) P2RX3P2RX4P2RX2ENPP1P2RX1

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 9 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
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 P2RX3 2/4885P2RX4 7/4885P2RX2 1/4885
US-20030186928-A1 Method for reducing intraocular pressure P2RY1, P2RY11, P2RY6 P2RX3 7/4885P2RX4 20/4885P2RX2 6/4885

“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.