SCHEMBL3970109

SCHEMBL3970109

Cc1ccc(S(=O)(=O)N2CCNCCN(CCN3CCNCCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
PKM P14618 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TP53 P04637 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL24324169 0.91 L3MBTL1 (0.59) L3MBTL1PKMHTTALDH1A1POLB
SCHEMBL9116345 0.90 L3MBTL1 (0.55) L3MBTL1PKMHTTALDH1A1POLB
SCHEMBL3974104 0.89 L3MBTL1 (0.75) L3MBTL1PKMHTTALDH1A1POLB
SCHEMBL6013980 0.89 PKM (0.71) PKMHTTALDH1A1POLBMAPT
SCHEMBL3977980 0.89 PKM (0.71) PKMHTTALDH1A1POLBMAPT
Propane SCHEMBL8394288 0.88 PKM (0.65) PKMHTTALDH1A1POLBMAPT
Bromide SCHEMBL3970603 0.88 PKM (0.69) PKMHTTALDH1A1POLBMAPT
SCHEMBL651924 0.88 MAPT (0.69) PKMHTTALDH1A1POLBMAPT
SCHEMBL5955341 0.88 MAPT (0.69) PKMHTTALDH1A1POLBMAPT
SCHEMBL9122576 0.88 MAPT (0.69) PKMHTTALDH1A1POLBMAPT

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 14 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-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
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
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

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 L3MBTL1 2047/4885PKM 1936/4885HTT 3853/4885
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 L3MBTL1 622/4885PKM 2233/4885HTT 278/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 L3MBTL1 897/4885PKM 1089/4885HTT 4758/4885

“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.