SCHEMBL5160104

SCHEMBL5160104

CC(C)(C)C(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.53
▸ TACR2 P21452 3/20 0.46
▸ PTPN1 P18031 10/20 0.46
▸ CDC25B P30305 8/20 0.46
▸ PTPN2 P17706 6/20 0.46
▸ PTPN11 Q06124 5/20 0.46
▸ PTPN6 P29350 4/20 0.46
▸ CDC25A P30304 2/20 0.46
▸ 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
▸ HTR1A P08908 1/20 0.42
▸ BCHE P06276 1/20 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
SCHEMBL5160114 1.00 NT5E (0.53) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL7178488 0.89 TSHR (0.46) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL7114420 0.89 TSHR (0.46) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL19731824 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL4181388 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL8225871 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL2482599 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL18744567 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL18241576 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL20295300 0.87 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2

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-7211663-B2 Synthesis of oligosaccharides, reagents and methods related thereto MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-01 — — US disclosed
EP-1119577-B1 Synthesis of oligonucleotides, reagents and methods related thereto MASSACHUSETTS INST TECHNOLOGY (US) 2007-02-28 — — EP disclosed
US-20030004322-A1 Synthesis of oligosaccharides, reagents and methods related thereto SEEBERGER PETER H (US) 2003-01-02 — — US disclosed
US-6323339-B1 GLYCOSYLATING SUBSTRATE IN PRESENCE OF LEWIS ACID; PURIFICATION; COMBINATORIAL CHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-11-27 — — 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-20030004322-A1 Synthesis of oligosaccharides, reagents and methods related thereto GPI, STT3A, UGCG NT5E 228/4885TACR2 3859/4885PTPN1 582/4885

“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.

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