SCHEMBL16661825

SCHEMBL16661825

CCCCCC[C@H](COC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O)O[C@@H]1O[C@@H](CO)[C@H](O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1NC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.54
▸ SELL P14151 6/20 0.41
▸ SELP P16109 5/20 0.41

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
SCHEMBL17777231 0.90 SELE (0.50) SELESELLSELP
SCHEMBL17881699 0.87 SELE (0.45) SELESELLSELP
SCHEMBL17881669 0.86 SELE (0.48) SELESELLSELP
SCHEMBL16661872 0.83 SELE (0.42) SELESELLSELP
SCHEMBL15070071 0.82 SELE (0.58) SELESELP
SCHEMBL19491946 0.81 SELE (0.50) SELESELP
SCHEMBL16661824 0.79 SELE (0.49) SELESELLSELP
SCHEMBL16659815 0.79 SELE (0.70) SELE
SCHEMBL17881698 0.79 SELE (0.70) SELE
SCHEMBL15070099 0.79 SELE (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243145-A1 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS GLYCOMIMETICS, INC. (US) 2016-08-25 — — US disclosed
US-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells GLYCOMIMETICS, INC. (US) 2016-06-30 — — US disclosed
US-9109002-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2015-08-18 — — US disclosed
US-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2015-04-23 — — 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-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885SELP 3/4885
US-20160243145-A1 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS SELE, SELP, SELPLG SELE 1/4885SELL 4/4885SELP 2/4885
US-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells SELE, SELP, SELPLG SELE 1/4885SELL 4/4885SELP 2/4885

“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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