SCHEMBL3515583

SCHEMBL3515583

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MTOR P42345 1/20 0.35
MDM2 Q00987 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ST6GAL1 P15907 6/20 0.35
NT5E P21589 1/20 0.34
TYMP P19971 1/20 0.33
KIF11 P52732 5/20 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
SCHEMBL3515586 1.00 LMNA (0.35) LMNATHRBMTORMDM2NCOA1
SCHEMBL1054740 0.82 P2RY14 (0.39) TYMP
SCHEMBL5962131 0.82 P2RY14 (0.39) TYMP
SCHEMBL5150771 0.81 NT5E (0.51) LMNATHRBMTORMDM2NCOA1
SCHEMBL3515581 0.80 TYMP (0.43) LMNATHRBMTORMDM2NCOA1
SCHEMBL4338085 0.78 P2RY6 (0.42) NT5E
SCHEMBL887176 0.77 POLB (0.42) LMNATHRBMTORMDM2NCOA1
SCHEMBL1052783 0.76 P2RY14 (0.37) TYMP
SCHEMBL1050829 0.76 P2RY14 (0.37) TYMP
SCHEMBL5318031 0.75 ST6GAL1 (0.45) LMNATHRBMTORMDM2NCOA1

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
EP-1677822-B1 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2014-04-23 EP 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 LMNA 2015/4885THRB 2388/4885MTOR 3967/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA LMNA 971/4885THRB 3553/4885MTOR 3904/4885

“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.