SCHEMBL3228430

SCHEMBL3228430

C=C(C)CCn1c(=O)ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 5/20 0.65
▸ P2RY2 P41231 18/20 0.59
▸ P2RY4 P51582 4/20 0.57
▸ NT5E P21589 1/20 0.56

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
SCHEMBL4952498 0.86 P2RY6 (0.61) P2RY6P2RY2P2RY4NT5E
SCHEMBL18574264 0.86 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL29185234 0.86 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL14946397 0.86 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL14929505 0.86 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL19998473 0.85 P2RY6 (0.62) P2RY6P2RY2P2RY4NT5E
SCHEMBL20003786 0.85 P2RY6 (0.62) P2RY6P2RY2P2RY4NT5E
SCHEMBL19998458 0.85 P2RY6 (0.71) P2RY6P2RY2P2RY4NT5E
SCHEMBL20003868 0.85 P2RY6 (0.71) P2RY6P2RY2P2RY4NT5E
SCHEMBL19998476 0.84 P2RY6 (0.65) P2RY6P2RY2P2RY4NT5E

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-20100068179-A1 Phosphohalohydrins, Process For The Production Thereof And Use Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2010-03-18 — — US disclosed
US-7625879-B2 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2009-12-01 — — US disclosed
US-7432253-B2 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2008-10-07 — — US disclosed
US-20060287274-A1 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2006-12-21 — — US disclosed
US-20060287281-A1 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2006-12-21 — — US disclosed
US-7109183-B2 Phosphohalohydrins, process for the production thereof and use thereof Institut National de la Sante et de la Recherchik Medicale (FR) 2006-09-19 — — US disclosed
US-7101711-B1 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTA ET DE LA RECHERCHE MEDICALE (FR) 2006-09-05 — — US disclosed
US-20040087555-A1 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICATE (FR) 2004-05-06 — — US disclosed
US-6660723-B1 Activating primate gamma delta lymphocytes INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2003-12-09 — — 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 (4 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-20060287274-A1 Phosphoepoxides, method for making same and uses CD4, CCR9, BCL9 P2RY6 302/4885P2RY2 169/4885P2RY4 211/4885
US-20040087555-A1 Phosphohalohydrins, process for the production thereof and use thereof CD4, HRH3, HRH1 P2RY6 3011/4885P2RY2 2241/4885P2RY4 2886/4885
US-20060287281-A1 Phosphohalohydrins, process for the production thereof and use thereof CD4, CCR9, BCL9 P2RY6 1314/4885P2RY2 975/4885P2RY4 784/4885
US-20100068179-A1 Phosphohalohydrins, Process For The Production Thereof And Use Thereof CD4, CCR9, ICOS P2RY6 845/4885P2RY2 805/4885P2RY4 834/4885

“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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