SCHEMBL436861

SCHEMBL436861

CC(=O)NCCCOCCOCCOCCCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL436893 0.88 ALDH1A1 (0.77) ALDH1A1MAPTNPSR1HPGDSMN1; SMN2
SCHEMBL31424563 0.87 ALDH1A1 (0.81) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL469041 0.83 GAA (0.48) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL11774581 0.83 USP2 (0.62) ALDH1A1NPSR1SMN1; SMN2LMNAL3MBTL1
SCHEMBL17089348 0.81 ALDH1A1 (0.66) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL9308052 0.80 GAA (0.76) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL8048430 0.80 ALDH1A1 (0.96) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL9066249 0.80 ALDH1A1 (0.96) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL9307243 0.80 ALDH1A1 (0.68) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL5508657 0.79 ALDH1A1 (0.74) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 US 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 ALDH1A1 3904/4885MAPT 2716/4885NPSR1 1363/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885MAPT 3260/4885NPSR1 781/4885

“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.