SCHEMBL1669396

SCHEMBL1669396

CNCCNC(=O)COCCOCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.40
▸ FAAH O00519 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30

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
SCHEMBL19544555 0.89 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL21440855 0.89 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL21440826 0.89 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL12118184 0.89 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL12641023 0.89 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL15942666 0.89 CES2 (0.40) CES2FAAHTSHRMEN1KMT2A
SCHEMBL21501522 0.88 CES2 (0.41) CES2FAAHHSD17B10TSHRMEN1
SCHEMBL26376485 0.86 CES2 (0.44) CES2FAAHTSHRMEN1KMT2A
SCHEMBL13040233 0.86 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A
SCHEMBL7006602 0.86 MEN1 (0.41) CES2FAAHTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289257-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS INC (US) 2016-10-06 — — 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-8895510-B2 Pan-selectin inhibitor with enhanced pharmacokinetic activity GLYCOMIMETICS, INC. (US) 2014-11-25 — — US disclosed
US-20140073594-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS, INC. (US) 2014-03-13 — — 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
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-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2013-07-18 — — US disclosed
WO-2011127179-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS, INC. (US) 2011-10-13 — — WO disclosed
WO-2010126888-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — WO disclosed
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — US disclosed
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — US disclosed
US-20090312278-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS GLYCOMIMETICS , INC. (US) 2009-12-17 — — US disclosed
US-20090312278-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS GLYCOMIMETICS , INC. (US) 2009-12-17 — — US disclosed
WO-2009152245-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS GLYCOMIMETICS, INC. (US) 2009-12-17 — — WO disclosed
WO-2009126556-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS, INC. (US) 2009-10-15 — — WO disclosed
US-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS, INC. (US) 2009-10-08 — — 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 (8 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-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE CES2 1236/4885FAAH 3597/4885HSD17B10 3862/4885
US-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE CES2 843/4885FAAH 4207/4885HSD17B10 3051/4885
US-20160289257-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV SIGLEC9, FUT5, FUT6 CES2 897/4885FAAH 4283/4885HSD17B10 2037/4885
US-20090312278-A1 TREATMENT OF CANCERS OF THE BLOOD USING SELECTED GLYCOMIMETIC COMPOUNDS BPGM, CD44, SIGLEC7 CES2 2579/4885FAAH 4365/4885HSD17B10 2891/4885
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE CES2 1236/4885FAAH 3597/4885HSD17B10 3862/4885
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE CES2 843/4885FAAH 4207/4885HSD17B10 3051/4885
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GAP43, PYGB, NLN CES2 301/4885FAAH 810/4885HSD17B10 1041/4885
US-20140073594-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV SIGLEC9, FUT5, FUT6 CES2 897/4885FAAH 4283/4885HSD17B10 2037/4885

“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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