SCHEMBL439736

SCHEMBL439736

COC(=O)CCOCC(C)(COCCC(=O)OC)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL439090 0.88 CYP2C9 (0.45) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL469086 0.88 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL439133 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL436790 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL12140923 0.85 IDO1 (0.43) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL10107134 0.85 CYP2C9 (0.43) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL12723337 0.84 MAPT (0.42) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL469020 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL439172 0.83 CYP2C9 (0.41) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL437779 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTRAB9A

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-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-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
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 3904/4885KMT2A 409/4885MEN1 2073/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885KMT2A 535/4885MEN1 1842/4885

“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.