SCHEMBL20004063

SCHEMBL20004063

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 10/20 0.64
UMPS P11172 1/20 0.59
P2RY2 P41231 12/20 0.58
P2RY4 P51582 7/20 0.58
NT5E P21589 2/20 0.51
DNPH1 O43598 1/20 0.49

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
SCHEMBL19998422 1.00 P2RY6 (0.64) P2RY6UMPSP2RY2P2RY4NT5E
SCHEMBL15279691 0.92 P2RY6 (0.76) P2RY6P2RY2P2RY4NT5E
SCHEMBL21450027 0.92 P2RY6 (0.76) P2RY6P2RY2P2RY4NT5E
SCHEMBL15276355 0.92 P2RY6 (0.76) P2RY6P2RY2P2RY4NT5E
SCHEMBL19308867 0.92 P2RY6 (0.76) P2RY6P2RY2P2RY4NT5E
SCHEMBL20013630 0.92 P2RY6 (0.58) P2RY6UMPSP2RY2P2RY4NT5E
SCHEMBL20013771 0.92 P2RY6 (0.58) P2RY6UMPSP2RY2P2RY4NT5E
SCHEMBL20013434 0.92 P2RY6 (0.58) P2RY6UMPSP2RY2P2RY4NT5E
SCHEMBL19998464 0.91 P2RY6 (0.73) P2RY6P2RY2P2RY4NT5E
SCHEMBL20003863 0.91 P2RY6 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS P2RY6 1/4885UMPS 3/4885P2RY2 7/4885

“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.