SCHEMBL436893

SCHEMBL436893

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.77
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.54
USP2 O75604 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL18894208 0.88 ALDH1A1 (1.00) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL436861 0.88 ALDH1A1 (0.62) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL11774581 0.86 USP2 (0.62) ALDH1A1LMNAHTTUSP2MEN1
SCHEMBL9066249 0.86 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL8048430 0.86 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL21350729 0.86 ALDH1A1 (0.71) ALDH1A1LMNAHTTUSP2MEN1
SCHEMBL7776599 0.84 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL26219802 0.82 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL12169334 0.82 ALDH1A1 (0.87) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL469035 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHPGDHTTMAPT

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 10 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-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 3904/4885LMNA 3554/4885HPGD 2623/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885LMNA 3626/4885HPGD 2583/4885

“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.