SCHEMBL437829

SCHEMBL437829

Cc1ccc(S(=O)(=O)NCCOCCNC(=O)NC(COCCC(=O)NO)(COCCC(=O)NO)COCCC(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.47
MEP1B Q16820 1/20 0.44
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP9 P14780 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 1/20 0.42
ADAM17 P78536 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL436799 0.89 ALDH1A1 (0.55) ALDH1A1MAPTUSP2L3MBTL1GAA
SCHEMBL13656827 0.80 MAPT (0.54) ALDH1A1MAPTUSP2L3MBTL1GAA
SCHEMBL439156 0.80 ALDH1A1 (0.45) ALDH1A1MAPTMEP1BMMP2MMP13
SCHEMBL437768 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEP1BMMP2MMP13
SCHEMBL436814 0.77 SMN1; SMN2 (0.46) HPGDMEN1KMT2A
SCHEMBL13656814 0.76 KMT2A (0.41) ALDH1A1MAPTMEP1BMMP2MMP13
SCHEMBL437811 0.75 ALDH1A1 (0.40) ALDH1A1MAPTMEP1BMMP2MMP13
SCHEMBL439967 0.75 HDAC1 (0.48) ALDH1A1MAPTLMNAKMT2A
SCHEMBL436893 0.74 ALDH1A1 (0.77) ALDH1A1MAPTUSP2L3MBTL1LMNA
SCHEMBL436790 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMMP2MMP13MMP9

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-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-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 2716/4885USP2 777/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885MAPT 3260/4885USP2 424/4885

“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.