SCHEMBL12257326

SCHEMBL12257326

CC(=O)NC1C(O)CC(C)(OC2C(O)C(CO)OC(OC3CC(C(=O)NCCN)CC(C)C3OC3OC(C)C(O)C(O)C3O)C2OC(=O)c2ccccc2)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 8/20 0.46
▸ MAG P20916 8/20 0.46
▸ SELP P16109 2/20 0.45
▸ SELL P14151 2/20 0.45

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
SCHEMBL11962138 0.93 MAG (0.50) SELEMAGSELPSELL
SCHEMBL12257341 0.92 SELE (0.48) SELEMAGSELPSELL
SCHEMBL12257323 0.91 SELP (0.49) SELEMAGSELPSELL
SCHEMBL12257320 0.87 MAG (0.50) SELEMAGSELPSELL
SCHEMBL11962144 0.85 MAG (0.53) SELEMAGSELPSELL
SCHEMBL11962137 0.84 SELP (0.53) SELEMAGSELPSELL
SCHEMBL12420062 0.83 SELE (0.48) SELEMAGSELPSELL
SCHEMBL12257344 0.82 SELL (0.52) SELEMAGSELPSELL
SCHEMBL11962136 0.80 MAG (0.54) SELEMAGSELPSELL
SCHEMBL14557931 0.80 SELE (0.42) SELEMAGSELPSELL

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-8026222-B2 Use of oligosaccharide compound or glycomimetic compound wherein a cyclohexane derivative is incorporated therein; treating inflammatory, vascular, and skin disorders such as diabetes, atherosclerosis, dermatitis, graft versus host disease, and lymphomas GLYCOMIMETICS, INC. (US) 2011-09-27 — — US disclosed
US-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 — — US disclosed
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-08-21 — — US disclosed
US-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-07-03 — — 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 (2 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-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines FUT6, B3GNT2, FUT5 SELE 622/4885MAG 163/4885SELP 860/4885
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines FUT6, ENGASE, FUT5 SELE 158/4885MAG 173/4885SELP 260/4885

“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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