SCHEMBL1052840

SCHEMBL1052840

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@H]2S[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 8/20 0.34
P2RY14 Q15391 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 3/20 0.31
KIF11 P52732 3/20 0.31
TSHR P16473 2/20 0.31
ABCB11 O95342 2/20 0.31
LMNA P02545 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC22A1 O15245 1/20 0.31
CACNA1F O60840 1/20 0.31
ABCB1 P08183 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1A P35348 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
HTT P42858 1/20 0.31
SCN7A Q01118 1/20 0.31
CACNA1D Q01668 1/20 0.31
PLAUR Q03405 1/20 0.31

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
SCHEMBL1052783 0.88 P2RY14 (0.37) DUTP2RY14
SCHEMBL1050829 0.88 P2RY14 (0.37) DUTP2RY14
SCHEMBL5962131 0.86 P2RY14 (0.39) DUTP2RY14
SCHEMBL1054740 0.86 P2RY14 (0.39) DUTP2RY14
SCHEMBL1052839 0.80 TYMP (0.38) DUTP2RY14TDP1CYP3A4MEN1
SCHEMBL6237035 0.80 TYMP (0.38) DUTP2RY14TDP1CYP3A4MEN1
SCHEMBL5962102 0.77 P2RY14 (0.33) DUTP2RY14KIF11
SCHEMBL5962105 0.74 P2RY14 (0.34) DUTP2RY14
SCHEMBL1055738 0.74 P2RY14 (0.34) DUTP2RY14
SCHEMBL442715 0.73 P2RY14 (0.48) P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677822-B1 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2014-04-23 EP disclosed
US-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing IONIS PHARMACEUTICALS, INC. 2005-06-16 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 (2 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-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION SNRPE, NSUN3, NSUN2 DUT 280/4885P2RY14 4501/4885TDP1 1683/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA DUT 98/4885P2RY14 4286/4885TDP1 1859/4885

“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.