SCHEMBL4169542

SCHEMBL4169542

COc1ccc(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](Oc3ccc(OC)cc3)[C@H](OCc3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ PTPN1 P18031 9/20 0.34
▸ PTPN2 P17706 5/20 0.34
▸ CDC25B P30305 7/20 0.33
▸ CDC25A P30304 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL4169540 0.92 LGALS3 (0.40) GRM5LGALS3PTPN1PTPN2CDC25B
SCHEMBL4178365 0.88 NT5E (0.41) GRM5LGALS3PTPN1PTPN2CDC25B
SCHEMBL6553216 0.85 GRM5 (0.41) GRM5LGALS3PTPN1PTPN2BCHE
SCHEMBL6553208 0.82 LGALS3 (0.46) GRM5LGALS3BCHE
SCHEMBL6553329 0.82 CYP3A4 (0.41) LGALS3NT5E
SCHEMBL6553337 0.82 CYP3A4 (0.41) LGALS3NT5E
SCHEMBL4169535 0.82 GRM5 (0.36) GRM5LGALS3PTPN1PTPN2CDC25B
SCHEMBL26102300 0.81 SSTR1 (0.42) PTPN1PTPN2CDC25BSSTR1SSTR2
SCHEMBL3756883 0.80 NT5E (0.43) PTPN1PTPN2CDC25BNT5EPTPN6
SCHEMBL27002581 0.80 NT5E (0.43) PTPN1PTPN2CDC25BNT5EPTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176970-A1 Preparation of Thiosugars and Their Use GLYCOFORM LIMITED (GB) 2009-07-09 — — 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-20090176970-A1 Preparation of Thiosugars and Their Use TST, TREH, FUT6 GRM5 4649/4885LGALS3 680/4885PTPN1 2222/4885

“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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