SCHEMBL2697987

SCHEMBL2697987

O=C(CCOP(=O)(O)O)C(O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
PGD P52209 3/20 0.41
LPAR3 Q9UBY5 4/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR1 Q92633 2/20 0.39
MPI P34949 1/20 0.36
TPI1 P60174 1/20 0.35
BTN3A1 O00481 1/20 0.34

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
SCHEMBL26321988 0.80 LPAR3 (0.42) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL157689 0.76 TPI1 (0.48) PGK1PGK2PGDMPITPI1
SCHEMBL14370338 0.74 PGK1 (0.41) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL202466 0.73 LPAR3 (0.43) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL2710223 0.73 LPAR3 (0.43) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL1198793 0.71 LPAR3 (0.46) PGK1PGK2LPAR3LPAR2LPAR1
SCHEMBL22661363 0.71 PGD (0.42) PGK1PGK2PGDLPAR3LPAR2
Hydrochloric Acid SCHEMBL22189200 0.71 LPAR3 (0.41) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL27566719 0.71 LPAR3 (0.41) PGK1PGK2PGDLPAR3LPAR2
SCHEMBL11675767 0.71 LPAR3 (0.41) PGK1PGK2PGDLPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017374-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE CALYSTA INC (US) 2016-01-21 US claimed
EP-2964748-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE Calysta, Inc. (US) 2016-01-13 EP claimed
EP-2499253-B1 MICROORGANISMS HAVING ENHANCED SUCROSE MUTASE ACTIVITY SÜDZUCKER AG MANNHEIM OCHSENFURT (DE) 2015-04-22 EP claimed
WO-2014138419-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE Calysta Energy, Inc. (US) 2014-09-12 WO claimed
US-20160017374-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE CALYSTA INC (US) 2016-01-21 US disclosed
EP-2964748-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE Calysta, Inc. (US) 2016-01-13 EP disclosed
WO-2014138419-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL PRODUCTION OF ISOPRENE Calysta Energy, Inc. (US) 2014-09-12 WO disclosed
US-8170852-B2 Data structures and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-01 US disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 US disclosed
US-7608450-B2 Nucleic acid and amino acid sequences relating to Staphylococcus epidermidis for diagnostics and therapeutics WYETH (US) 2009-10-27 US disclosed
US-20080260776-A1 Preparation of Salmonella Broad-Spectrum Vaccines BUMANN DIRK 2008-10-23 US disclosed
US-7332310-B2 Mutant of homoserine dehydrogenase from Corynebacterium and DNA encoding thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-02-19 US disclosed
US-20060063224-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway SCHECHTER ALAN M 2006-03-23 US disclosed
EP-1066309-A4 LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORP (US) 2005-10-19 EP disclosed
EP-1066404-A4 METHODS FOR PRODUCING LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORP (US) 2004-04-07 EP disclosed
US-6677502-B1 ISOLATED POLYNUCLEOTIDE COMPRISING NUCLEOTIDE SEQUENCE ENCODING POLYPEPTIDE HAVING GTP CYCLOHYDROLASE II/3,4-DIHYDROXY-2-BUTANONE-4-PHOSPHATE SYNTHASE ACTIVITY, OR ITS COMPLEMENT E.I. DU PONT DE NEMOURS AND COMPANY 2004-01-13 US disclosed
EP-1066404-A1 METHODS FOR PRODUCING LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORPORATION (US) 2001-01-10 EP disclosed
EP-1066309-A1 LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORPORATION (US) 2001-01-10 EP disclosed
WO-1999051766-A1 METHODS FOR PRODUCING LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORPORATION (US) 1999-10-14 WO disclosed
WO-1999051620-A1 LIBRARIES OF EXPRESSIBLE GENE SEQUENCES INVITROGEN CORPORATION (US) 1999-10-14 WO 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 (1 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-20080260776-A1 Preparation of Salmonella Broad-Spectrum Vaccines SAMM50, TLR5, WASHC5 PGK1 4041/4885PGK2 3677/4885PGD 1393/4885

“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.