SCHEMBL9914006

SCHEMBL9914006

C[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.52
LGALS3 P17931 2/20 0.52
LGALS9 O00182 1/20 0.52
LGALS8 O00214 1/20 0.52
PYGB P11216 6/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FUCA1 P04066 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41

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
SCHEMBL2606624 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL15299087 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL13542913 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL8244688 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL23816520 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14268507 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL24518019 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL147049 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL13110610 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL21610360 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018053706-A1 COMPOSITION COMPRISING PAEONIFLORIN OR ALBIFLORIN ANALOGUE, METHOD OF PREPARATION THEREOF L'OREAL (FR) 2018-03-29 WO disclosed
US-20160367678-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2016-12-22 US disclosed
WO-2016176343-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-11-03 WO disclosed
US-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-18 US disclosed
WO-2015077652-A1 DESAZADESFERRITHIOCIN ANALOGS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-28 WO disclosed
US-20140147471-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF COMVITA NEW ZEALAND LTD. (NZ) 2014-05-29 US disclosed
US-8679499-B2 Methods for relieving asthma-associated airway hyperresponsiveness THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-25 US disclosed
US-8637287-B2 Glycosyltransferase reversibility for sugar nucleotide synthesis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-28 US disclosed
US-20130295163-A1 NON-REDUCING END MODIFIED GLUCAN, METHOD FOR PRODUCING SAME, AND USE THEREOF EZAKI GLICO CO., LTD. (JP) 2013-11-07 US disclosed
US-20130295163-A1 NON-REDUCING END MODIFIED GLUCAN, METHOD FOR PRODUCING SAME, AND USE THEREOF EZAKI GLICO CO., LTD. (JP) 2013-11-07 US disclosed
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-09 US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 US disclosed
US-20100197613-A1 METHODS FOR INHIBITION OF NKT CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-08-05 US disclosed
US-7682614-B2 Methods for inhibition of NKT cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-03-23 US disclosed
US-7582426-B2 Method for expression of proteins on spore surface GENEOFOCUS CO., LTD. (KR) 2009-09-01 US disclosed
US-7572604-B2 Modified carbohydrate processing enzyme ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-20090181444-A1 MODIFIED CARBOHYDRATE PROCESSING ENZYME ISIS INNOVATION LIMITED (GB) 2009-07-16 US disclosed
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
WO-2007079448-A2 THREE COMPONENT CARBOHYDRATE VACCINE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-07-12 WO disclosed
US-20070066814-A1 Steroid modified chacotrioses and solatrioses GLYCOMED SCIENCES LIMITED (KY) 2007-03-22 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 LGALS1 1838/4885LGALS3 1512/4885LGALS9 1928/4885
US-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH LGALS1 4621/4885LGALS3 4497/4885LGALS9 4262/4885
US-20160367678-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF LGALS1 12/4885LGALS3 39/4885LGALS9 47/4885
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH LGALS1 4621/4885LGALS3 4497/4885LGALS9 4262/4885
US-20100197613-A1 METHODS FOR INHIBITION OF NKT CELLS UGCG, CD47, ASAH2 LGALS1 42/4885LGALS3 85/4885LGALS9 70/4885
US-20070066814-A1 Steroid modified chacotrioses and solatrioses HSD17B7, CYP17A1, HSD11B2 LGALS1 1576/4885LGALS3 1283/4885LGALS9 3138/4885
US-20140147471-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF CD14, IL2, CD74 LGALS1 11/4885LGALS3 13/4885LGALS9 20/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 LGALS1 1752/4885LGALS3 1484/4885LGALS9 1934/4885

“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.