SCHEMBL14409790

SCHEMBL14409790

CC(C)(C)C(=O)OCC1OC(OCc2ccccc2)C(OCc2ccccc2)C(OC(=O)C(C)(C)C)C1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.51
▸ PTPN1 P18031 8/20 0.46
▸ CDC25B P30305 8/20 0.46
▸ PTPN2 P17706 4/20 0.44
▸ PTPN6 P29350 4/20 0.44
▸ PTPN11 Q06124 4/20 0.44
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ FGF1 P05230 2/20 0.42
▸ FGF2 P09038 2/20 0.42
▸ VEGFA P15692 2/20 0.42
▸ HPSE Q9Y251 2/20 0.42

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
SCHEMBL6552379 0.94 PTPN1 (0.50) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL472853 0.90 NT5E (0.44) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL6552374 0.88 TACR2 (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL14075622 0.86 LGALS8 (0.48) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL14409788 0.86 LGALS8 (0.48) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2629592 0.86 LGALS8 (0.48) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL6553266 0.84 SSTR1 (0.44) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL6553262 0.84 SSTR1 (0.44) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL6553224 0.83 SSTR1 (0.50) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL472852 0.83 LGALS8 (0.42) NT5EPTPN1CDC25BSSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637578-B2 Reagents and methods for the formation of disulfide bonds and the glycosylation of proteins ISIS INNOVATION LIMITED (GB) 2014-01-28 — — US disclosed
US-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins ISIS INNOVATION LIMITED (GB) 2007-09-13 — — 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 (1 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-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins SCLY, PTMS, TST NT5E 3172/4885PTPN1 1465/4885CDC25B 2860/4885

“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.

Send feedback