SCHEMBL3971768

SCHEMBL3971768

Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.69
TGM1 P22735 9/20 0.69
F13A1 P00488 8/20 0.69
GAA P10253 4/20 0.68
PKM P14618 2/20 0.68
KMT2A Q03164 2/20 0.64
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TGM3 Q08188 1/20 0.59
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL17277447 1.00 TGM2 (0.69) TGM2TGM1F13A1GAAPKM
SCHEMBL3973675 0.94 TGM2 (0.63) TGM2TGM1F13A1GAAPKM
SCHEMBL8394062 0.93 TGM2 (0.65) TGM2TGM1F13A1GAAPKM
SCHEMBL3975724 0.92 GAA (0.62) TGM2TGM1F13A1GAAPKM
SCHEMBL10064223 0.91 TGM2 (0.70) TGM2TGM1F13A1GAAKMT2A
SCHEMBL1872113 0.88 TGM2 (0.67) TGM2TGM1F13A1PKMKMT2A
SCHEMBL26104923 0.88 TGM2 (0.67) TGM2TGM1F13A1PKMKMT2A
SCHEMBL5253097 0.88 POLB (0.71) TGM2TGM1F13A1GAAPKM
SCHEMBL4235140 0.88 TGM2 (0.67) TGM2TGM1F13A1PKMKMT2A
SCHEMBL12061638 0.87 TGM2 (0.63) TGM2TGM1F13A1GAAPKM

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689384-A4 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2009-05-06 EP disclosed
EP-2011501-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use Chelator LLC (US) 2009-01-07 EP disclosed
EP-1261349-B1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2008-09-03 EP disclosed
EP-1689384-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY Concat LP (US) 2006-08-16 EP disclosed
WO-2005053674-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2005-06-16 WO disclosed
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) 2005-05-26 US disclosed
US-6881732-B2 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CHELATOR LLC (US) 2005-04-19 US disclosed
EP-1261349-A4 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2004-09-01 EP disclosed
EP-1382332-A1 Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent Chelator LLC (US) 2004-01-21 EP disclosed
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) 2004-01-08 US disclosed
US-6387891-B2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN COSMETICS AND PERSONAL CARE PRODUCTS, INHIBITION OF METALLOENZYMES, AND INHIBITION OF REPERFUSION INJURY CONCAT, LTD. 2002-05-14 US disclosed
US-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury CHELATOR LLC 2001-11-15 US disclosed
WO-2001062262-A1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CONCAT, LTD. (US) 2001-08-30 WO disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
WO-1997001360-A9 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS 1997-07-17 WO disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 WO 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 (3 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-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury MPO, LPO, SOD1 TGM2 250/4885TGM1 214/4885F13A1 1188/4885
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 TGM2 1392/4885TGM1 1630/4885F13A1 2022/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 TGM2 770/4885TGM1 763/4885F13A1 696/4885

“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.