SCHEMBL3973675

SCHEMBL3973675

Cc1ccc(S(=O)(=O)N2CCN(CCN3CCN(C(=O)OCc4ccccc4)CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.63
F13A1 P00488 6/20 0.63
TGM1 P22735 6/20 0.63
PKM P14618 2/20 0.61
GAA P10253 2/20 0.61
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TGM3 Q08188 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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 0.94 TGM2 (0.69) TGM2F13A1TGM1PKMGAA
SCHEMBL3971768 0.94 TGM2 (0.69) TGM2F13A1TGM1PKMGAA
SCHEMBL8394062 0.93 TGM2 (0.65) TGM2F13A1TGM1PKMGAA
SCHEMBL3975724 0.87 GAA (0.62) TGM2F13A1TGM1PKMGAA
SCHEMBL10064223 0.86 TGM2 (0.70) TGM2F13A1TGM1GAAKMT2A
SCHEMBL8742078 0.85 CA1 (0.55) TGM2F13A1TGM1GAAKMT2A
SCHEMBL22788591 0.83 CA1 (0.53) TGM2F13A1TGM1GAAKMT2A
SCHEMBL1872113 0.83 TGM2 (0.67) TGM2F13A1TGM1PKMKMT2A
SCHEMBL4235140 0.83 TGM2 (0.67) TGM2F13A1TGM1PKMKMT2A
SCHEMBL5253097 0.83 POLB (0.71) TGM2F13A1TGM1PKMGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-6583182-B1 Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper CHELATOR LLC 2003-06-24 US disclosed
US-6469162-B1 SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY CONCAT, LTD. 2002-10-22 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
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
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 250/4885F13A1 1188/4885TGM1 214/4885
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 1392/4885F13A1 2022/4885TGM1 1630/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 TGM2 770/4885F13A1 696/4885TGM1 763/4885

“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.