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Sugi Predict / Compounds / SCHEMBL16062805

SCHEMBL16062805

SCHEMBL16062805

CCC1O[C@H](O[C@@H]2C(OCc3ccccc3)[C@H](OCCCC(=O)OC)OC(CO[C@H]3OC(CO[C@H]4OC(CC)[C@@H](C)[C@H](C)C4O[C@H]4OC(CO)[C@@H](C)[C@H](C)C4OC(=O)c4ccccc4)[C@@H](C)[C@H](C)C3OC(=O)c3ccccc3)[C@H]2C)C(O[C@H]2OC(CO)[C@@H](C)[C@H](C)C2OC(=O)c2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.36
▸ LGALS8 O00214 1/20 0.35
▸ SELP P16109 6/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ FGF2 P09038 3/20 0.34
▸ MDK P21741 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ FGF1 P05230 2/20 0.33
▸ VEGFA P15692 2/20 0.33
▸ HPSE Q9Y251 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ TNF P01375 1/20 0.33

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
SCHEMBL16062804 0.97 NT5E (0.38) NT5ESELPFGF2MDKSSTR1
SCHEMBL16062802 0.94 SELP (0.38) NT5ESELPFGF2MDKSSTR1
SCHEMBL16062807 0.93 NT5E (0.36) NT5ESELPFGF2MDKSSTR1
SCHEMBL16062803 0.91 NT5E (0.36) NT5ELGALS8SELPLGALS3FGF2
SCHEMBL16062799 0.91 NT5E (0.39) NT5ESELPSSTR1SSTR2SSTR4
SCHEMBL16062800 0.88 LGALS8 (0.41) NT5ELGALS8SELPLGALS3SSTR2
SCHEMBL16849996 0.83 LMNA (0.40) NT5ELGALS8SELPFGF2MDK
SCHEMBL16062808 0.82 CD209 (0.42) LGALS8SELPLGALS3FGF2FGF1
SCHEMBL16062810 0.82 TACR1 (0.36) SELPLGALS3FGF2SSTR1SSTR2
SCHEMBL16062797 0.81 KDM4E (0.39) LGALS8SELPFGF2SSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002365-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES GENZYME CORPORATION 2018-01-04 — — US disclosed
US-9493498-B2 Oligosaccharide-protein conjugates GENZYME CORPORATION (US) 2016-11-15 — — US disclosed
US-20150175643-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES GENZYME CORPORATION 2015-06-25 — — US disclosed
US-8835614-B2 Oligosaccharide-protein conjugates GENZYME CORPORATION (US) 2014-09-16 — — US disclosed
US-20110300120-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES GENZYME CORPORATION 2011-12-08 — — 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 (3 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-20110300120-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES MAN2B1, GAA, GBA1 NT5E 2722/4885LGALS8 404/4885SELP 1706/4885
US-20150175643-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES MAN2B1, GAA, GBA1 NT5E 2722/4885LGALS8 404/4885SELP 1706/4885
US-20180002365-A1 OLIGOSACCHARIDE-PROTEIN CONJUGATES MAN2B1, GAA, GBA1 NT5E 2722/4885LGALS8 404/4885SELP 1706/4885

“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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