SCHEMBL888052

SCHEMBL888052

CC(OCc1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.54
TK2 O00142 1/20 0.54
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX12 P18054 1/20 0.49
ADRA1A P35348 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TYMS P04818 1/20 0.46

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
SCHEMBL888050 1.00 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL889575 1.00 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570191 1.00 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888380 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL16728033 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL889670 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888378 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL2065151 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL10178026 0.92 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL14680014 0.92 TK1 (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 EP disclosed
US-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIV CINCINNATI (US) 2016-04-14 US disclosed
US-8969535-B2 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-03-03 US disclosed
WO-2014194250-A2 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIVERSITY OF CINCINNATI (US) 2014-12-04 WO 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
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-20090081686-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-03-26 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 (3 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-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS DCTD, TYMS, CDA TK1 28/4885TK2 123/4885LMNA 1042/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 TK1 62/4885TK2 160/4885LMNA 129/4885

“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.