SCHEMBL3515581

SCHEMBL3515581

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.43
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
LMNA P02545 3/20 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 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CACNA1F O60840 2/20 0.32
ALB P02768 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
PDE3A Q14432 2/20 0.32
KIF11 P52732 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
SCHEMBL1054333 0.85 P2RY6 (0.44) TYMP
SCHEMBL1054738 0.81 TYMP (0.42) TYMPSLC6A1SLC6A11
SCHEMBL5930407 0.81 TYMP (0.47) TYMPSLC6A1SLC6A11LMNATHRB
SCHEMBL5930409 0.81 TYMP (0.47) TYMPSLC6A1SLC6A11LMNATHRB
SCHEMBL5710025 0.81 TYMP (0.62) TYMPLMNATHRBMTORMDM2
SCHEMBL3515586 0.80 LMNA (0.35) TYMPLMNATHRBMTORMDM2
SCHEMBL3515583 0.80 LMNA (0.35) TYMPLMNATHRBMTORMDM2
SCHEMBL1737308 0.79 TYMP (0.54) TYMPLMNATHRBMTORMDM2
SCHEMBL26647620 0.79 TYMP (0.54) TYMPLMNATHRBMTORMDM2
SCHEMBL22758892 0.79 LMNA (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 TYMP 2257/4885SLC6A1 4517/4885SLC6A11 4454/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA TYMP 687/4885SLC6A1 4374/4885SLC6A11 4484/4885

“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.