SCHEMBL889538

SCHEMBL889538

CC(C)C(OCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.51
TK2 O00142 1/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYMS P04818 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA1A P35348 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
SCHEMBL10178059 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL2064678 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL14680016 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL889611 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888090 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888088 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL12570205 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL2064682 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL14665814 0.93 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888043 0.93 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2

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-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-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 TK1 58/4885TK2 167/4885LMNA 131/4885

“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.