SCHEMBL2742889

SCHEMBL2742889

COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NANP Q8TBE9 3/20 0.74
SELL P14151 1/20 0.51
SELP P16109 1/20 0.51
MAG P20916 3/20 0.48
SIGLEC7 Q9Y286 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CD22 P20273 1/20 0.45

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
SCHEMBL7066109 1.00 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL28161285 1.00 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL15976325 1.00 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL13125452 1.00 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL8489507 1.00 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL8664558 0.92 NANP (0.64) NANPSELLSELPMAGSIGLEC7
SCHEMBL9253179 0.92 NANP (0.63) NANPSELLSELPMAGSIGLEC7
SCHEMBL14601223 0.91 NANP (0.63) NANPSELLSELPMAGSIGLEC7
SCHEMBL23366254 0.91 NANP (0.74) NANPSELLSELPMAGSIGLEC7
SCHEMBL7263212 0.91 NANP (0.62) NANPSELLSELPMAGSIGLEC7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401863-A1 TREATMENT AND PREVENTION OF NEISSERIA GONORRHOEAE INFECTION USING CMP-ACTIVATED NONULOSONATE ANALOG COMPOUNDS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2021-12-30 US disclosed
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 US disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 US disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 US disclosed
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 US disclosed
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 US disclosed
US-20100029579-A1 ANTIVIRAL COMPOUNDS THERAPICON SRL (IT) 2010-02-04 US disclosed
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 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
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 (9 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL NANP 748/4885SELL 3/4885SELP 1/4885
US-20100029579-A1 ANTIVIRAL COMPOUNDS HAVCR2, ZC3HAV1, NT5E NANP 198/4885SELL 174/4885SELP 1252/4885
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG NANP 999/4885SELL 2/4885SELP 4/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG NANP 776/4885SELL 4/4885SELP 2/4885
US-20210401863-A1 TREATMENT AND PREVENTION OF NEISSERIA GONORRHOEAE INFECTION USING CMP-ACTIVATED NONULOSONATE ANALOG COMPOUNDS ST3GAL3, B3GNT2, FUT5 NANP 48/4885SELL 3479/4885SELP 3328/4885
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 NANP 3180/4885SELL 3/4885SELP 6/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG NANP 776/4885SELL 4/4885SELP 2/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG NANP 776/4885SELL 4/4885SELP 2/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE NANP 1362/4885SELL 1/4885SELP 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.