SCHEMBL3296163

SCHEMBL3296163

NC(=O)NOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.79
▸ P2RY2 P41231 3/20 0.79
▸ SRC P12931 2/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.79
▸ P2RX1 P51575 2/20 0.79
▸ P2RX3 P56373 2/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ P2RX4 Q99571 1/20 0.79
▸ P2RX2 Q9UBL9 1/20 0.79
▸ TRPM2 O94759 2/20 0.76
▸ TAS1R3 Q7RTX0 2/20 0.76
▸ TAS1R1 Q7RTX1 2/20 0.76
▸ DNPH1 O43598 1/20 0.76
▸ PRKAB2 O43741 1/20 0.76
▸ LDHA P00338 1/20 0.76
▸ ADRB2 P07550 1/20 0.76
▸ FBP1 P09467 1/20 0.76
▸ ADORA1 P30542 1/20 0.76
▸ PRKAG1 P54619 1/20 0.76
▸ PRKAA2 P54646 1/20 0.76

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
SCHEMBL5055892 0.91 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL3046222 0.91 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL28796094 0.90 P2RY1 (0.72) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL28319431 0.89 P2RY1 (0.82) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Diadenosine Tetraphosphate SCHEMBL4069414 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL4357990 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1744586 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL21067711 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Diadenosine Tetraphosphate SCHEMBL4363130 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL2934890 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741473-B2 Process for the preparation of 4,6-disubstituted-tetrahydro-furo, thieno, pyrrolo and cyclopenta-[3,4][1,3]dioxoles INSPIRE PHARMACEUTICALS, INC. (US) 2010-06-22 — — US disclosed
EP-1863826-A1 PROCESS FOR THE PREPARATION OF 4,6-DISUBSTITUTED-TETRAHYDRO-FURO, THIENO, PYRROLO AND CYCLOPENTA-[3,4][1,3]DIOXOLES Inspire Pharmaceuticals, Inc. (US) 2007-12-12 — — EP disclosed
US-20060234976-A1 Process for the preparation of 4,6-disubstituted-tetrahydro-furo, thieno, pyrrolo and cyclopenta-[3,4][1,3]dioxoles INSPIRE PHARMACEUTICALS, INC. 2006-10-19 — — US disclosed
WO-2006105529-A1 PROCESS FOR THE PREPARATION OF 4,6-DISUBSTITUTED-TETRAHYDRO-FURO, THIENO, PYRROLO AND CYCLOPENTA-[3,4][1,3]DIOXOLES INSPIRE PHARMACEUTICALS, INC. (US) 2006-10-05 — — WO 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 (1 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-20060234976-A1 Process for the preparation of 4,6-disubstituted-tetrahydro-furo, thieno, pyrrolo and cyclopenta-[3,4][1,3]dioxoles THPO, F2, PF4 P2RY1 114/4885P2RY2 100/4885SRC 1110/4885

“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.

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