SCHEMBL16659820

SCHEMBL16659820

CC(=O)NC1C(O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](C)O[C@H]1O[C@@H]1CCCC(C)[C@H]1OC1O[C@@H](C)[C@H](O)C(O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.63
▸ SELL P14151 1/20 0.33
▸ SELP P16109 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL19939765 1.00 SELE (0.63) SELESELLSELPMAPK1
SCHEMBL19939763 0.92 SELE (0.59) SELESELLSELP
SCHEMBL16659823 0.92 SELE (0.59) SELESELLSELP
SCHEMBL16659816 0.91 SELE (0.64) SELESELLSELP
SCHEMBL18026351 0.91 SELE (0.64) SELESELLSELP
SCHEMBL17877663 0.91 SELE (0.57) SELESELLSELP
SCHEMBL16661869 0.87 SELE (0.55) SELESELLSELP
SCHEMBL17881676 0.87 SELE (0.55) SELESELLSELP
SCHEMBL17881708 0.87 SELE (0.55) SELESELLSELP
SCHEMBL18027947 0.87 SELE (0.55) SELESELLSELP

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-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-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 (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-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885SELP 3/4885
US-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP SELE 1/4885SELL 4/4885SELP 3/4885

“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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