SCHEMBL889661

SCHEMBL889661

CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.44
P2RY1 P47900 1/20 0.44
SLC29A1 Q99808 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
POLB P06746 1/20 0.41
STING1 Q86WV6 1/20 0.41

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
SCHEMBL26233517 1.00 ENPP1 (0.44) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL26233535 1.00 ENPP1 (0.44) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL26233582 1.00 ENPP1 (0.44) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL888135 0.92 SLC29A1 (0.49) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL888132 0.92 SLC29A1 (0.49) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL21563856 0.92 SLC29A1 (0.49) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL14665960 0.92 SLC29A1 (0.49) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL29763178 0.92 SLC29A1 (0.49) ENPP1P2RY1SLC29A1ADORA3ADORA2A
SCHEMBL26233406 0.90 SLC29A1 (0.43) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL26233533 0.90 SLC29A1 (0.43) SLC29A1ADORA3ADORA2AADORA2BADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969535-B2 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-03-03 US disclosed
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-03-21 US disclosed
US-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 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-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 ENPP1 154/4885P2RY1 793/4885SLC29A1 189/4885

“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.