SCHEMBL2065883

SCHEMBL2065883

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.42
TK2 O00142 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TYMS P04818 1/20 0.37

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
SCHEMBL2065887 1.00 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL14778031 1.00 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570204 1.00 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12762684 1.00 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL14778032 1.00 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570203 0.94 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12762681 0.94 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888196 0.94 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888193 0.94 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL15483809 0.92 TK1 (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150140559-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2015-05-21 US disclosed
US-8877905-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2014-11-04 US disclosed
US-20140051848-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2014-02-20 US disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E TK1 90/4885TK2 108/4885LMNA 357/4885

“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.