SCHEMBL10126435

SCHEMBL10126435

O=[N+]([O-])c1ccc(SCCOc2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
GPR35 Q9HC97 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 3/20 0.40
MGLL Q99685 3/20 0.40

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
SCHEMBL832001 0.77 ALDH1A1 (0.71) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL14344180 0.75 ALDH1A1 (0.64) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL31236786 0.74 MAPT (0.58) MAPTALDH1A1NPSR1SMN1; SMN2TP53
SCHEMBL9050843 0.73 MAPT (1.00) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL5330200 0.73 MAPT (0.58) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9051152 0.71 MAPT (0.84) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
P-Nitrophenol SCHEMBL7697743 0.71 MAPT (0.51) MAPTALDH1A1GAACA2TDP1
SCHEMBL8973769 0.70 TXNRD1 (0.66) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9051122 0.70 MAPT (0.73) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9049334 0.70 MAPT (0.82) MAPTALDH1A1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807436-B1 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES INC (US) 2014-06-18 EP disclosed
US-20130178600-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2013-07-11 US disclosed
US-20130178600-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2013-07-11 US disclosed
EP-2502941-A1 Heterobifunctional poly (ethylene glycol) and uses thereof Intezyne Technologies Inc. (US) 2012-09-26 EP disclosed
US-8268936-B2 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-18 US disclosed
US-8268936-B2 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-18 US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 US disclosed
US-8212083-B2 Use in PEGylation of biologicals; variety of terminal functional groups; made by polymerizing ethylene oxide on initiators such as N-(hydroxyalkyl) imines or N,N-bis(diphenyloxophosphino)-N-hydroxyalkylamines INTEZYNE TECHNOLOGIES, INC. (US) 2012-07-03 US disclosed
US-8212083-B2 Use in PEGylation of biologicals; variety of terminal functional groups; made by polymerizing ethylene oxide on initiators such as N-(hydroxyalkyl) imines or N,N-bis(diphenyloxophosphino)-N-hydroxyalkylamines INTEZYNE TECHNOLOGIES, INC. (US) 2012-07-03 US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 US disclosed
WO-2007127473-A2 POLY (ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 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-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof LNPEP, GNE, DNPEP MAPT 3631/4885ALDH1A1 2599/4885TXNRD1 4519/4885
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 MAPT 3362/4885ALDH1A1 2008/4885TXNRD1 4201/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 MAPT 3362/4885ALDH1A1 2008/4885TXNRD1 4201/4885

“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.