SCHEMBL1052213

SCHEMBL1052213

COc1ccc(C(OC[C@H]2S[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.42
P2RY14 Q15391 2/20 0.42
NT5E P21589 1/20 0.42
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
POLB P06746 1/20 0.38
TYMP P19971 2/20 0.38
ADORA3 P0DMS8 4/20 0.37
F2 P00734 1/20 0.34
MAPK14 Q16539 1/20 0.34
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
SCD O00767 1/20 0.33
EGFR P00533 1/20 0.33
ERBB3 P21860 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 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
SCHEMBL1054670 0.94 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4338084 0.92 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1055228 0.92 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1054333 0.89 P2RY6 (0.44) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL30580338 0.86 P2RY6 (0.51) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL3454561 0.86 P2RY6 (0.52) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL12636396 0.85 P2RY6 (0.46) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1055737 0.81 TYMP (0.41) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL28633882 0.81 TYMP (0.44) TYMPADORA3
SCHEMBL28635435 0.81 TYMP (0.44) TYMPADORA3

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
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
WO-2005027962-A9 4’-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2006-08-10 WO 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 P2RY6 4305/4885P2RY14 4501/4885NT5E 1924/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA P2RY6 3954/4885P2RY14 4286/4885NT5E 346/4885

“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.