SCHEMBL2798123

SCHEMBL2798123

C=CCO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.39
▸ SLC6A2 P23975 1/20 0.36
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.35
▸ NT5E P21589 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAG P20916 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CDC25B P30305 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
SCHEMBL2798128 1.00 TACR2 (0.39) TACR2SLC6A2LGALS8LGALS3NT5E
SCHEMBL13231369 1.00 TACR2 (0.39) TACR2SLC6A2LGALS8LGALS3NT5E
SCHEMBL25412293 0.93 SLC6A2 (0.43) SLC6A2LGALS8LGALS3MCHR1MAG
SCHEMBL25412287 0.93 SLC6A2 (0.43) SLC6A2LGALS8LGALS3MCHR1MAG
SCHEMBL25413680 0.88 NT5E (0.36) TACR2NT5EMCHR1POLBLMNA
SCHEMBL25413683 0.88 NT5E (0.36) TACR2NT5EMCHR1POLBLMNA
SCHEMBL2797350 0.86 SSTR4 (0.42) TACR2NT5EMCHR1SSTR1SSTR2
SCHEMBL2797352 0.86 SSTR4 (0.42) TACR2NT5EMCHR1SSTR1SSTR2
SCHEMBL25414267 0.85 MCHR1 (0.39) MCHR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL2311523 0.84 LGALS8 (0.47) SLC6A2LGALS8LGALS3MCHR1MAG

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-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-01-04 — — US disclosed
US-20130035479-A1 FUNCTIONALIZED BETA 1,6 GLUCOSAMINE DISACCHARIDES AND PROCESS FOR THEIR PREPARATION OM PHARMA (CH) 2013-02-07 — — US disclosed
US-20100168054-A1 Functionalized Beta 1,6 Glucosamine Disaccharides and Process for Their Preparation OM PHARMA (CH) 2010-07-01 — — US disclosed
EP-2106403-A2 FUNCTIONALIZED BETA 1,6 GLUCOSAMINE DISACCHARIDES AND PROCESS FOR THEIR PREPARATION OM Pharma (CH) 2009-10-07 — — EP disclosed
WO-2008059035-A2 FUNCTIONALIZED BETA 1,6 GLUCOSAMINE DISACCHARIDES AND PROCESS FOR THEIR PREPARATION OM PHARMA (CH) 2008-05-22 — — WO 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-20130035479-A1 FUNCTIONALIZED BETA 1,6 GLUCOSAMINE DISACCHARIDES AND PROCESS FOR THEIR PREPARATION FUT6, FUT5, B3GNT2 TACR2 2223/4885SLC6A2 1614/4885LGALS8 208/4885
US-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE TLR4, TLR5, TLR9 TACR2 3614/4885SLC6A2 2695/4885LGALS8 45/4885
US-20100168054-A1 Functionalized Beta 1,6 Glucosamine Disaccharides and Process for Their Preparation FUT6, FUT5, B3GNT2 TACR2 2223/4885SLC6A2 1614/4885LGALS8 208/4885

“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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