SCHEMBL1054740

SCHEMBL1054740

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.39
DUT P33316 5/20 0.35
P2RY2 P41231 4/20 0.34
P2RY6 Q15077 4/20 0.34
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34
TYMP P19971 1/20 0.33
P2RY4 P51582 1/20 0.33
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL5962131 1.00 P2RY14 (0.39) P2RY14DUTP2RY2P2RY6SLC28A1
SCHEMBL1052783 0.94 P2RY14 (0.37) P2RY14DUTP2RY2P2RY6SLC28A1
SCHEMBL1050829 0.94 P2RY14 (0.37) P2RY14DUTP2RY2P2RY6SLC28A1
SCHEMBL1052840 0.86 DUT (0.34) P2RY14DUT
SCHEMBL3515583 0.82 LMNA (0.35) TYMP
SCHEMBL3515586 0.82 LMNA (0.35) TYMP
SCHEMBL442715 0.81 P2RY14 (0.48) P2RY14P2RY2P2RY6SLC28A1SLC28A2
SCHEMBL1054738 0.80 TYMP (0.42) P2RY14DUTP2RY2P2RY6SLC28A1
SCHEMBL8538694 0.80 P2RY14 (0.44) P2RY14P2RY2P2RY6SLC28A1SLC28A2
SCHEMBL5962105 0.79 P2RY14 (0.34) P2RY14DUTP2RY2P2RY6TYMP

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-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 P2RY14 4501/4885DUT 280/4885P2RY2 4546/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA P2RY14 4286/4885DUT 98/4885P2RY2 4211/4885

“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.