SCHEMBL888102

SCHEMBL888102

CC(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.54
P2RY1 P47900 1/20 0.54
POLB P06746 1/20 0.53
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC29A1 Q99808 1/20 0.45
TYMP P19971 1/20 0.43
DTYMK P23919 2/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL888232 0.89 ENPP1 (0.51) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL888084 0.86 POLB (0.47) ENPP1P2RY1POLB
SCHEMBL888141 0.83 ENPP1 (0.58) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL887961 0.81 ENPP1 (0.43) ENPP1P2RY1POLBSLC29A1DTYMK
SCHEMBL888235 0.80 TAS1R3 (0.49) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL1140765 0.80 POLB (0.56) ENPP1P2RY1POLBDTYMKHIF1A
SCHEMBL888072 0.79 POLB (0.51) POLB
SCHEMBL6910499 0.78 TYMP (0.57) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL12570175 0.77 SLC29A1 (0.61) SLC29A1HIF1A
SCHEMBL889556 0.77 SLC29A1 (0.61) SLC29A1HIF1A

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-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
US-7964352-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) 2011-06-21 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 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-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing UNG, DCLRE1B, NT5C3B ENPP1 170/4885P2RY1 873/4885POLB 28/4885

“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.