SCHEMBL472226

SCHEMBL472226

Cc1ccc(S(=O)(=O)NCCCN(CCN(CCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
ALOX15 P16050 1/20 0.68
ALDH1A1 P00352 14/20 0.61
HTT P42858 2/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MBTD1 Q05BQ5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 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
SCHEMBL3905679 0.98 CA12 (0.72) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL3898192 0.97 CA12 (0.70) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7203889 0.97 CA12 (0.70) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7095475 0.95 CA12 (0.68) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7095728 0.94 CA12 (0.66) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7205364 0.93 CA12 (0.64) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7097556 0.93 CA12 (0.64) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7207746 0.93 CA12 (0.64) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7203875 0.93 CA12 (0.64) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7092423 0.93 CA12 (0.64) CA12CA2CA9ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9054392-B2 Electrolyte solution and magnesium battery including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-06-09 US disclosed
US-8420626-B2 Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2013-04-16 US disclosed
US-20120171577-A1 ELECTROLYTE SOLUTION AND MAGNESIUM BATTERY INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-07-05 US disclosed
EP-2412729-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2012-02-01 EP disclosed
EP-2399938-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2011-12-28 EP disclosed
US-20100179116-A1 Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-07-15 US disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
US-6084093-A SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES G. D. SEARLE & CO. (US) 2000-07-04 US disclosed
US-5874421-A Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide G. D. SEARLE & CO. (US) 1999-02-23 US disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
US-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
US-5219555-A Coupling isotopes with macrocyclic amines; diagnosis HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-15 US disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP disclosed
EP-0304780-B1 PROCESS FOR LABELLING SUBSTANCES WITH TECHNETIUM OR RHENIUM HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed
EP-0304780-A1 Process for labelling substances with technetium or rhenium HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-01 EP 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-20100179116-A1 Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof SRM, SP1, SMS CA12 4689/4885CA2 4341/4885CA9 4569/4885
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography MAX, PTMS, SLC7A1 CA12 1451/4885CA2 99/4885CA9 1438/4885

“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.