SCHEMBL14557803

SCHEMBL14557803

CCCCOC1C(C)OC(OC2C(N=[N+]=[N-])CC(C(=O)OC)CC2OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)C2OC(=O)c2ccccc2)C(OCCCC)C1OCCCC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 7/20 0.43
▸ SELP P16109 5/20 0.34
▸ FGF2 P09038 1/20 0.31
▸ MDK P21741 1/20 0.31

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
SCHEMBL19559645 0.92 SELE (0.38) SELESELP
SCHEMBL15434875 0.92 SELE (0.45) SELESELP
SCHEMBL13896464 0.92 SELE (0.45) SELESELP
SCHEMBL15839484 0.92 SELE (0.45) SELESELP
SCHEMBL11982131 0.92 SELE (0.45) SELESELPFGF2MDK
SCHEMBL14823284 0.92 SELE (0.45) SELESELPFGF2MDK
SCHEMBL18938433 0.91 SELE (0.47) SELESELPFGF2MDK
SCHEMBL15488763 0.89 SELE (0.45) SELESELPFGF2MDK
SCHEMBL13657356 0.88 SELE (0.41) SELESELP
SCHEMBL14557809 0.88 SELE (0.47) SELESELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 — — US disclosed
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS INC (US) 2015-02-19 — — US disclosed
US-8895510-B2 Pan-selectin inhibitor with enhanced pharmacokinetic activity GLYCOMIMETICS, INC. (US) 2014-11-25 — — US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 — — US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 — — US disclosed
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GLYCOMIMETICS, INC. 2013-10-03 — — US disclosed
US-8410066-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2013-04-02 — — US disclosed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 — — US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — US disclosed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 — — 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 (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-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG SELE 1/4885SELP 2/4885FGF2 1453/4885
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL SELE 2/4885SELP 6/4885FGF2 1205/4885
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE SELE 3/4885SELP 2/4885FGF2 3849/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG SELE 1/4885SELP 2/4885FGF2 1453/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG SELE 1/4885SELP 2/4885FGF2 1453/4885
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GAP43, PYGB, NLN SELE 1302/4885SELP 640/4885FGF2 1805/4885

“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.

Send feedback