SCHEMBL19998441

SCHEMBL19998441

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)C2O)c(=O)n1Cc1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.57
UMPS P11172 1/20 0.57
P2RY2 P41231 9/20 0.54
P2RY4 P51582 4/20 0.52
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ATIC P31939 2/20 0.48
FBP1 P09467 1/20 0.48
DNPH1 O43598 2/20 0.47
IMPDH2 P12268 2/20 0.47
GART P22102 1/20 0.46

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
SCHEMBL20003893 1.00 P2RY6 (0.57) P2RY6UMPSP2RY2P2RY4TAS1R3
SCHEMBL15276376 0.93 P2RY6 (0.68) P2RY6P2RY2P2RY4
SCHEMBL21450096 0.93 P2RY6 (0.68) P2RY6P2RY2P2RY4
SCHEMBL15279694 0.93 P2RY6 (0.68) P2RY6P2RY2P2RY4
SCHEMBL19308829 0.93 P2RY6 (0.68) P2RY6P2RY2P2RY4
SCHEMBL19998475 0.91 P2RY2 (0.68) P2RY6P2RY2P2RY4
SCHEMBL20004037 0.91 P2RY2 (0.68) P2RY6P2RY2P2RY4
SCHEMBL20003784 0.90 P2RY6 (0.57) P2RY6UMPSP2RY2P2RY4TAS1R3
SCHEMBL19998417 0.90 P2RY6 (0.57) P2RY6UMPSP2RY2P2RY4TAS1R3
SCHEMBL20004063 0.86 P2RY6 (0.64) P2RY6UMPSP2RY2P2RY4DNPH1

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.