SCHEMBL2355650

SCHEMBL2355650

N[C@@H](CCC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.92

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.92
GSTK1 Q9Y2Q3 1/20 0.92
GLO1 Q04760 2/20 0.65
NOD1 Q9Y239 8/20 0.49
FOLH1 Q04609 3/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 1/20 0.45

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
SCHEMBL10324537 1.00 PTGS1 (0.92) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL10825773 0.97 PTGS1 (0.88) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL28304097 0.97 PTGS1 (0.88) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL1479109 0.97 PTGS1 (0.88) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL14360534 0.97 PTGS1 (0.88) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL28054046 0.96 PTGS1 (0.95) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL5147539 0.96 PTGS1 (0.95) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL15701576 0.96 PTGS1 (1.00) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL5167025 0.96 PTGS1 (1.00) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL13105609 0.96 PTGS1 (1.00) PTGS1GSTK1GLO1NOD1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893632-B1 SELECTIVE REDUCTION AND DERIVATIZATION OF ENGINEERED FACTOR VII PROTEINS COMPRISING AT LEAST ONE NON-NATIVE CYSTEINE NOVO NORDISK HEALTHCARE AG (CH) 2015-08-12 EP disclosed
US-8633300-B2 Selective reduction and derivatization of engineered proteins comprising at least one non-native cysteine NOVO NORDISK HEALTHCARE AG (CH) 2014-01-21 US disclosed
EP-1893631-B1 DIMERIC AND MULTIMERIC FVIIA COMPOUNDS NOVO NORDISK HEALTHCARE AG (CH) 2013-08-14 EP disclosed
EP-2360170-A2 Selective reduction and derivatization of engineered proteins comprinsing at least one non-native cysteine Novo Nordisk Health Care AG (CH) 2011-08-24 EP disclosed
EP-2213733-A2 Factor IX analogues having prolonged in vivo half life Novo Nordisk Health Care AG (CH) 2010-08-04 EP disclosed
US-20090252720-A1 Prolonged FIX Analogues and Derivatives NOVO NORDISK HEALTH CARE AG (CH) 2009-10-08 US disclosed
EP-2029738-A2 FACTOR IX ANALOGUES HAVING PROLONGED IN VIVO HALF LIFE Novo Nordisk Health Care AG (CH) 2009-03-04 EP disclosed
US-20090041744-A1 Dimeric and Multimeric FVIIa Compounds NOVO NORDISK HEALTHCARE A/G (CH) 2009-02-12 US disclosed
US-20080200651-A1 Selective Reduction and Derivatization of Engineered Proteins Comprising at Least One Non-Native Cysteine NOVO NORDISK HEALTHCARE A/G (CH) 2008-08-21 US disclosed
EP-1893631-A2 DIMERIC AND MULTIMERIC FVIIA COMPOUNDS Novo Nordisk Health Care AG (CH) 2008-03-05 EP disclosed
EP-1893632-A2 SELECTIVE REDUCTION AND DERIVATIZATION OF ENGINEERED PROTEINS COMPRISING AT LEAST ONE NON-NATIVE CYSTEINE Novo Nordisk Health Care AG (CH) 2008-03-05 EP disclosed
WO-2007135182-A2 FACTOR IX ANALOGUES HAVING PROLONGED IN VIVO HALF LIFE NOVO NORDISK HEALTH CARE AG (DK) 2007-11-29 WO disclosed
WO-2006134174-A2 DIMERIC AND MULTIMERIC FVIIA COMPOUND NOVO NORDISK HEALTH CARE AG (CH) 2006-12-21 WO disclosed
WO-2006134173-A2 SELECTIVE REDUCTION AND DERIVATIZATION OF ENGINEERED PROTEINS COMPRISING AT LEAST ONE NON-NATIVE CYSTEINE NOVO NORDISK HEALTH CARE AG (CH) 2006-12-21 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 (3 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-20090252720-A1 Prolonged FIX Analogues and Derivatives FGB, F2, F8 PTGS1 3569/4885GSTK1 2925/4885GLO1 1134/4885
US-20080200651-A1 Selective Reduction and Derivatization of Engineered Proteins Comprising at Least One Non-Native Cysteine PTMS, PDIA6, P4HB PTGS1 2560/4885GSTK1 23/4885GLO1 26/4885
US-20090041744-A1 Dimeric and Multimeric FVIIa Compounds F2, F13B, FGB PTGS1 2422/4885GSTK1 1327/4885GLO1 520/4885

“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.