SCHEMBL3969240

SCHEMBL3969240

Cc1ccc(S(=O)(=O)NCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.73
LMNA P02545 2/20 0.65
HPGD P15428 2/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
GBA1 P04062 1/20 0.53
ALOX15 P16050 1/20 0.53
MBTD1 Q05BQ5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL3878739 0.89 ALDH1A1 (0.62) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL13892211 0.85 ALDH1A1 (0.71) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL9550978 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL18894208 0.84 ALDH1A1 (1.00) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL9066249 0.83 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL12418418 0.83 ALDH1A1 (0.49) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL12302132 0.83 ALDH1A1 (0.90) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL8048430 0.83 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL241884 0.82 CA1 (0.52) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL5567042 0.82 ALDH1A1 (0.75) 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 35 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
WO-1991010645-A2 CHELANTS COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1991-07-25 WO disclosed
US-4983744-A Substituted thienylethylamines and process for their production LONZA LTD. (CH) 1991-01-08 US disclosed
US-4970325-A Substituted thienylethylamines and process for their production LONZA LTD. (CH) 1990-11-13 US disclosed
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4204064-A FOR TREATMENT OF SKIN OR SCALP L'OREAL (FR) 1980-05-20 US disclosed
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 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-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 ALDH1A1 361/4885LMNA 2599/4885HPGD 275/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 ALDH1A1 3314/4885LMNA 2201/4885HPGD 2037/4885

“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.