SCHEMBL439077

SCHEMBL439077

Cc1ccc(S(=O)(=O)NCCOCCN)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.84
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
GBA1 P04062 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.49
GAA P10253 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
SCHEMBL17281797 0.98 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL19593673 0.98 ALDH1A1 (0.82) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL18894208 0.92 ALDH1A1 (1.00) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL9066249 0.90 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL8048430 0.90 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL12169334 0.86 ALDH1A1 (0.87) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL22500881 0.84 CYP3A4 (0.68) ALDH1A1LMNAHPGDMAPTKDM4E
SCHEMBL7776599 0.84 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL29316529 0.84 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL16503455 0.84 ALDH1A1 (0.84) ALDH1A1LMNAHPGDHTTMEN1

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 3554/4885HPGD 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.