SCHEMBL15548469

SCHEMBL15548469

CC(=O)CCC(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
HTR2A P28223 1/20 0.52
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 2/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL29189078 0.93 BCL9 (0.59) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6444724 0.89 BCL9 (0.59) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL29189081 0.88 BCL9 (0.54) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6577540 0.88 BCL9 (0.74) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL3468592 0.86 HTR2A (0.56) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL27557226 0.86 BCL9 (0.74) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL5762656 0.85 BCL9 (0.60) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL30967403 0.85 HTR2A (0.55) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6395955 0.84 BCL9 (0.60) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL31331481 0.83 BCL9 (0.59) BCL9CTNNB1HTR2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 EP disclosed
EP-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 EP disclosed
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 US disclosed
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 US disclosed
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 US disclosed
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 US disclosed
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 US disclosed
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 US disclosed
US-20150352219-A1 CONJUGATE COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-12-10 US disclosed
EP-2928902-A1 CONJUGATE COMPOUNDS Callaghan Innovation Research Limited (NZ) 2015-10-14 EP disclosed
US-20150191503-A1 ORGANIC COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-07-09 US disclosed
US-20150191503-A1 ORGANIC COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-07-09 US disclosed
US-20150191503-A1 ORGANIC COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-07-09 US disclosed
EP-2877481-A1 ORGANIC COMPOUNDS Callaghan Innovation Research Limited (NZ) 2015-06-03 EP disclosed
WO-2014088432-A1 CONJUGATE COMPOUNDS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2014-06-12 WO disclosed
WO-2014088432-A1 CONJUGATE COMPOUNDS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2014-06-12 WO disclosed
WO-2014017928-A1 ORGANIC COMPOUNDS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2014-01-30 WO disclosed
WO-2014017928-A1 ORGANIC COMPOUNDS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2014-01-30 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-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES SGMS1, ENPP2, SGMS2 BCL9 628/4885CTNNB1 4730/4885HTR2A 3626/4885
US-20150191503-A1 ORGANIC COMPOUNDS SGMS1, UGCG, SGMS2 BCL9 557/4885CTNNB1 3547/4885HTR2A 4449/4885
US-20150352219-A1 CONJUGATE COMPOUNDS SGMS1, SGMS2, ENPP2 BCL9 606/4885CTNNB1 4858/4885HTR2A 4549/4885

“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.