SCHEMBL889665

SCHEMBL889665

O=c1[nH]c(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1COCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.57
TK2 O00142 1/20 0.57
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX12 P18054 1/20 0.53
ADRA1A P35348 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TYMS P04818 1/20 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
SCHEMBL888025 1.00 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570185 1.00 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888026 1.00 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888051 0.94 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL16268228 0.92 TK1 (0.52) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL4426730 0.90 TK1 (0.52) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL16268227 0.88 TK1 (0.52) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL889597 0.88 TK1 (0.55) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888189 0.88 TK1 (0.55) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570196 0.88 TK1 (0.55) TK1TK2LMNASMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2018-08-07 US disclosed
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2017-11-16 US disclosed
US-8889860-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2014-11-18 US disclosed
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-05-16 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
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 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
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 (4 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 TK1 58/4885TK2 167/4885LMNA 131/4885
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 TK1 100/4885TK2 154/4885LMNA 275/4885
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TK1 102/4885TK2 160/4885LMNA 275/4885
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TK1 102/4885TK2 160/4885LMNA 275/4885

“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.