SCHEMBL12419342

SCHEMBL12419342

COC(=O)C1C[C@@H](O)[C@@H](O)[C@H](OC(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ BRD4 O60885 1/20 0.34
▸ CHRM2 P08172 5/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 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
SCHEMBL12513405 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27491802 0.82 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15071177 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12240496 0.79 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16840443 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL765252 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL637101 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10476597 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL636682 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2303457 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GLYCOMIMETICS, INC. 2013-10-03 — — US disclosed
US-8518896-B2 Treatment of cancers of the blood using selected glycomimetic compounds GLYCOMIMETICS, INC. (US) 2013-08-27 — — US disclosed
EP-2318015-B1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS GLYCOMIMETICS INC (US) 2013-08-07 — — EP 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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — US disclosed
US-20090312278-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS GLYCOMIMETICS , INC. (US) 2009-12-17 — — US disclosed
US-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS, INC. (US) 2009-10-08 — — 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-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE CHRNB2 4033/4885CHRNA4 4631/4885CHRNB4 4410/4885
US-20090312278-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS BPGM, CD44, SIGLEC7 CHRNB2 4568/4885CHRNA4 4694/4885CHRNB4 4461/4885
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE CHRNB2 2293/4885CHRNA4 3138/4885CHRNB4 2559/4885
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE CHRNB2 4033/4885CHRNA4 4631/4885CHRNB4 4410/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB2 3011/4885CHRNA4 4228/4885CHRNB4 3646/4885
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GAP43, PYGB, NLN CHRNB2 647/4885CHRNA4 677/4885CHRNB4 597/4885

“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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