SCHEMBL6130637

SCHEMBL6130637

CCCCOC(=O)N(CCN(CCN(CCCCCCCCCO)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PLEC Q15149 1/20 0.40
MCHR1 Q99705 1/20 0.40
P4HB P07237 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
RAB9A P51151 1/20 0.39
CA9 Q16790 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
UGT1A7 Q9HAW7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39

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
SCHEMBL6130649 0.96 CNR2 (0.42) CNR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6130650 0.89 CNR2 (0.43) CNR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6130644 0.84 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1HTTCA12
SCHEMBL6130703 0.78 CNR2 (0.53) CNR2SMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL9307801 0.77 CNR2 (0.67) CNR2SMN1; SMN2MAPTPOLBHTT
SCHEMBL7611913 0.77 CNR2 (0.67) CNR2SMN1; SMN2MAPTPOLBHTT
SCHEMBL8101278 0.75 CNR2 (0.64) CNR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL8626916 0.74 SMN1; SMN2 (0.58) CNR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL3694171 0.74 CNR2 (0.58) CNR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL11711049 0.74 SMN1; SMN2 (0.56) CNR2SMN1; SMN2MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports IBC ADVANCED TECHNOLOGIES, INC. 2005-03-24 US disclosed
EP-1453602-A4 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECH INC (US) 2005-01-12 EP disclosed
EP-1453602-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2004-09-08 EP disclosed
US-6774082-B2 COMPOSITION FOR USE IN THE SEPARATION OF PREFERENTIAL BIOPOLYMERS FROM SAMPLE IBC ADVANCED TECHNOLOGIES, INC. 2004-08-10 US disclosed
US-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences IBC ADVANCED TECHNOLOGIES, INC. 2003-03-13 US disclosed
WO-2002092766-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2002-11-21 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 (2 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-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences NUDT1, ATIC, PNP CNR2 2209/4885SMN1; SMN2 1456/4885MAPT 3385/4885
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports NUDT1, PCNA, NSUN2 CNR2 2700/4885SMN1; SMN2 997/4885MAPT 3897/4885

“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.