SCHEMBL439076

SCHEMBL439076

Cc1ccc(S(=O)(=O)NCCOCCNC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41

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
SCHEMBL9709469 0.80 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL436893 0.78 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL18894208 0.78 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL30382536 0.77 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL8048430 0.76 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL9066249 0.76 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL7776599 0.74 ALDH1A1 (0.84) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL26219802 0.73 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL12169334 0.72 ALDH1A1 (0.87) ALDH1A1LMNASMN1; SMN2HTTHPGD
SCHEMBL21111498 0.72 CA2 (0.40) ALDH1A1MAPTUSP2KMT2ANPSR1

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 8 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-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 3554/4885SMN1; SMN2 2888/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885LMNA 3626/4885SMN1; SMN2 3977/4885

“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.