SCHEMBL411677

SCHEMBL411677

[2H]C[C@H]1O[C@@H](n2cnc3c(NC(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)CC1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
P2RY12 Q9H244 1/20 0.40
SLC29A1 Q99808 1/20 0.39
ADK P55263 1/20 0.39

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
SCHEMBL12920212 1.00 ADORA3 (0.45) ADORA3ADORA2AADORA1P2RY12SLC29A1
SCHEMBL19840345 0.95 ADORA3 (0.47) ADORA3ADORA2AADORA1P2RY12ADK
SCHEMBL16244658 0.88 SLC29A1 (0.52) ADORA3ADORA2AADORA1SLC29A1ADK
SCHEMBL12920253 0.88 SLC29A1 (0.46) ADORA3ADORA2AADORA1SLC29A1ADK
SCHEMBL412698 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1P2RY12
SCHEMBL12920215 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1P2RY12
SCHEMBL12920214 0.84 TAS1R3 (0.45)
SCHEMBL412282 0.84 TAS1R3 (0.45)
SCHEMBL19840344 0.81 ADORA3 (0.37) ADORA3ADORA2AADORA1P2RY12
SCHEMBL3189329 0.80 TYMP (0.52) ADORA2AP2RY12

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-20120065386-A1 SYNTHESIS OF LABILE BASE PROTECTED - MODIFIED DEOXY & MODIFIED RIBO NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND SUPPORTS AND THEIR USE IN HIGH PURITY OLIGONUCLEOTIDE SYNTHESIS CHEMGENES CORPORATION 2012-03-15 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-20120065386-A1 SYNTHESIS OF LABILE BASE PROTECTED - MODIFIED DEOXY & MODIFIED RIBO NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND SUPPORTS AND THEIR USE IN HIGH PURITY OLIGONUCLEOTIDE SYNTHESIS RNMT, POLRMT, RNGTT ADORA3 451/4885ADORA2A 153/4885ADORA1 807/4885

“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.