SCHEMBL13660690

SCHEMBL13660690

CC1[C@@H](C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)NC(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.65
▸ P2RX1 P51575 4/20 0.65
▸ P2RX3 P56373 4/20 0.65
▸ P2RY2 P41231 2/20 0.65
▸ P2RX2 Q9UBL9 2/20 0.65
▸ P2RX4 Q99571 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ SRC P12931 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MACROD2 A1Z1Q3 1/20 0.61
▸ SIRT6 Q8N6T7 1/20 0.61
▸ MACROD1 Q9BQ69 1/20 0.61
▸ TRPM2 O94759 1/20 0.61
▸ GK P32189 1/20 0.57

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
SCHEMBL12932265 0.89 P2RX3 (0.75) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL25634748 0.85 P2RY1 (0.67) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL13660667 0.84 TGM2 (0.65) P2RX3P2RY2
SCHEMBL12932315 0.83 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL12884728 0.83 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL1062593 0.83 P2RY1 (0.81) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL24063413 0.82 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL21082399 0.82 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL20820215 0.82 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL29642908 0.82 P2RX1 (0.82) P2RY1P2RX1P2RX3P2RY2P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 — — 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 (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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 P2RY1 4814/4885P2RX1 4549/4885P2RX3 4596/4885

“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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