SCHEMBL20003889

SCHEMBL20003889

Cc1ccc(CCn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.56
P2RY6 Q15077 8/20 0.54
P2RY2 P41231 11/20 0.52
P2RY4 P51582 4/20 0.50
NT5E P21589 3/20 0.50

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
SCHEMBL19998433 1.00 UMPS (0.56) UMPSP2RY6P2RY2P2RY4NT5E
SCHEMBL15279633 0.93 P2RY6 (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL19308821 0.93 P2RY6 (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL21450080 0.93 P2RY6 (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL15276367 0.93 P2RY6 (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL20003786 0.91 P2RY6 (0.62) P2RY6P2RY2P2RY4NT5E
SCHEMBL19998473 0.91 P2RY6 (0.62) P2RY6P2RY2P2RY4NT5E
SCHEMBL19998426 0.91 UMPS (0.56) UMPSP2RY6P2RY2P2RY4NT5E
SCHEMBL20004061 0.91 UMPS (0.56) UMPSP2RY6P2RY2P2RY4NT5E
SCHEMBL19998423 0.91 UMPS (0.56) UMPSP2RY6P2RY2P2RY4NT5E

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 UMPS 3/4885P2RY6 1/4885P2RY2 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.