SCHEMBL16661871

SCHEMBL16661871

CCC1CC(C(=O)OC)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)C(F)(F)F)[C@@H]1OC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.63
▸ SELL P14151 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
SCHEMBL17881674 1.00 SELE (0.63) SELESELL
SCHEMBL19479262 1.00 SELE (0.63) SELESELL
SCHEMBL19479256 1.00 SELE (0.63) SELESELL
SCHEMBL16661873 1.00 SELE (0.63) SELESELL
SCHEMBL19479263 1.00 SELE (0.63) SELESELL
SCHEMBL19943724 1.00 SELE (0.63) SELESELL
SCHEMBL19943722 1.00 SELE (0.63) SELESELL
SCHEMBL16659821 1.00 SELE (0.63) SELESELL
SCHEMBL22006643 1.00 SELE (0.63) SELESELL
SCHEMBL19939770 0.95 SELE (0.65) 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-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells GLYCOMIMETICS, INC. (US) 2016-06-30 — — US disclosed
US-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. 2016-05-26 — — 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-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885
US-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885
US-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells SELE, SELP, SELPLG SELE 1/4885SELL 4/4885

“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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