SCHEMBL11936571

SCHEMBL11936571

COC(=O)C1(OC)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.74
▸ MAG P20916 6/20 0.47
▸ SIGLEC7 Q9Y286 1/20 0.46
▸ SELL P14151 1/20 0.45
▸ SELP P16109 1/20 0.45
▸ CD22 P20273 1/20 0.43
▸ NEU4 Q8WWR8 1/20 0.42
▸ NEU1 Q99519 1/20 0.42
▸ NEU3 Q9UQ49 1/20 0.42
▸ NEU2 Q9Y3R4 1/20 0.42

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
SCHEMBL12108941 1.00 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL23366254 1.00 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL9253179 0.92 NANP (0.63) NANPMAGSIGLEC7SELLSELP
SCHEMBL13125452 0.91 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL2742889 0.91 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL28161285 0.91 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL7066109 0.91 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL12108940 0.91 NANP (0.74) NANPMAGSIGLEC7CD22
SCHEMBL8489507 0.91 NANP (0.74) NANPMAGSIGLEC7SELLSELP
SCHEMBL17029902 0.91 NANP (0.74) NANPMAGSIGLEC7CD22

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-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-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 — — US disclosed
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2012-08-09 — — US disclosed
US-8227425-B2 Antiviral compounds THERAPICON SRL (IT) 2012-07-24 — — US disclosed
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2011-10-20 — — US disclosed
US-8026222-B2 Use of oligosaccharide compound or glycomimetic compound wherein a cyclohexane derivative is incorporated therein; treating inflammatory, vascular, and skin disorders such as diabetes, atherosclerosis, dermatitis, graft versus host disease, and lymphomas GLYCOMIMETICS, INC. (US) 2011-09-27 — — US disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 — — US disclosed
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 — — US disclosed
US-20100029579-A1 ANTIVIRAL COMPOUNDS THERAPICON SRL (IT) 2010-02-04 — — 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL NANP 748/4885MAG 1778/4885SIGLEC7 19/4885
US-20100029579-A1 ANTIVIRAL COMPOUNDS HAVCR2, ZC3HAV1, NT5E NANP 198/4885MAG 3426/4885SIGLEC7 77/4885
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 NANP 186/4885MAG 173/4885SIGLEC7 73/4885
US-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG NANP 632/4885MAG 1675/4885SIGLEC7 20/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 NANP 82/4885MAG 163/4885SIGLEC7 77/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE NANP 1362/4885MAG 979/4885SIGLEC7 9/4885

“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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