SCHEMBL15070100

SCHEMBL15070100

CCC1CCC[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1OC1O[C@@H](C(F)(F)F)C(O)C(O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.60
▸ MAPK1 P28482 1/20 0.36
▸ LGALS8 O00214 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CD69 Q07108 1/20 0.35

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
SCHEMBL17881667 1.00 SELE (0.60) SELEMAPK1LGALS8LGALS3LGALS4
SCHEMBL16661823 1.00 SELE (0.60) SELEMAPK1LGALS8LGALS3LGALS4
SCHEMBL21206362 0.91 SELE (0.59) SELEMAPK1LGALS8LGALS3LGALS4
SCHEMBL16659817 0.90 SELE (0.74) SELEMAPK1
SCHEMBL23943307 0.89 SELE (0.57) SELEMAPK1LGALS8LGALS3LGALS4
SCHEMBL17881698 0.86 SELE (0.70) SELE
SCHEMBL16659815 0.86 SELE (0.70) SELE
SCHEMBL15070099 0.86 SELE (0.70) SELE
SCHEMBL18026351 0.84 SELE (0.64) SELE
SCHEMBL16659816 0.84 SELE (0.64) SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332491-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2022-05-17 — — US disclosed
US-20210017215-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2021-01-21 — — US disclosed
US-10766916-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2020-09-08 — — US disclosed
US-20200157134-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2020-05-21 — — US disclosed
EP-3296310-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlycoMimetics, Inc. (US) 2018-03-21 — — EP disclosed
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2018-03-08 — — US disclosed
EP-2928476-B1 COMPOUNDS, COMPOSITIONS AND METHODS USING E-SELECTIN ANTAGONISTS FOR MOBILIZATION OF HEMATOPOIETIC CELLS GLYCOMIMETICS INC (US) 2018-02-14 — — EP disclosed
US-9867841-B2 Compounds, compositions and methods using E-selectin antagonists for mobilization of hematopoietic cells GLYCOMIMETICS, INC. (US) 2018-01-16 — — US disclosed
US-9796745-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2017-10-24 — — US disclosed
US-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2017-10-19 — — US disclosed
WO-2015048616-A1 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2015-04-02 — — WO disclosed
WO-2013096926-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2013-06-27 — — 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 (6 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-11332491-B2 E-selectin antagonist compounds, compositions, and methods of use SELE, SELPLG, SELP SELE 1/4885MAPK1 2167/4885LGALS8 540/4885
US-20210017215-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885MAPK1 2167/4885LGALS8 540/4885
US-10766916-B2 E-selectin antagonist compounds, compositions, and methods of use SELE, SELPLG, SELP SELE 1/4885MAPK1 2167/4885LGALS8 540/4885
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885MAPK1 2167/4885LGALS8 540/4885
US-20170296566-A9 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS SELE, SELP, SELPLG SELE 1/4885MAPK1 3812/4885LGALS8 256/4885
US-20200157134-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885MAPK1 2167/4885LGALS8 540/4885

“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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