SCHEMBL1170899

SCHEMBL1170899

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.78
CTNNB1 P35222 1/20 0.78
MGLL Q99685 2/20 0.65
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL136672 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL13184389 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL131963 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL1916980 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL22531036 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL7754480 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL7191252 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL135634 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL8388580 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A
SCHEMBL8822087 1.00 BCL9 (0.78) BCL9CTNNB1MGLLALDH1A1KMT2A

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-1551228-B1 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES UNIV NEW YORK (US) 2012-10-03 EP disclosed
US-8252909-B2 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases NEW YORK UNIVERSITY (US) 2012-08-28 US disclosed
US-8211859-B2 α-galactoceramide analogs, their methods of manufacture, intermediate compounds useful in these methods, and pharmaceutical compositions containing them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-03 US disclosed
US-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2011-02-03 US disclosed
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 WO disclosed
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 WO disclosed
EP-2099813-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Centre National de la Recherche Scientifique (FR) 2009-09-16 EP disclosed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO disclosed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO disclosed
US-7273852-B2 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2007-09-25 US disclosed
US-20060019246-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases NEW YORK UNIVERSITY (US) 2006-01-26 US disclosed
EP-1551228-A2 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES New York University (US) 2005-07-13 EP disclosed
US-20040127429-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK, THE 2004-07-01 US disclosed
WO-2003105769-A2 SYNTHETIC C-GLYCOLIPID AND ITS USE FOR TREATING CANCER INFECTIOUS DISEASES AND AUTOIMMUNE DISEASES NEW YORK UNIVERSITY (US) 2003-12-24 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-20040127429-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases and autoimmune diseases UGT8, UGCG, SGMS1 BCL9 136/4885CTNNB1 4065/4885MGLL 1911/4885
US-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GALE, GALNT14, GALC BCL9 1798/4885CTNNB1 3979/4885MGLL 167/4885
US-20060019246-A1 Synthetic C-glycolipid and its use for treating cancer, infectious diseases, and autoimmune diseases CCR8, UGT8, H1-10 BCL9 264/4885CTNNB1 4226/4885MGLL 2151/4885

“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.