SCHEMBL2015532

SCHEMBL2015532

Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.[NaH].[NaH]

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.74
CA12 O43570 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALOX15 P16050 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
GLA P06280 1/20 0.49
MBTD1 Q05BQ5 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL598551 0.98 ALDH1A1 (0.77) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL8199849 0.97 ALDH1A1 (0.74) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7961779 0.94 ALDH1A1 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL15854998 0.92 ALDH1A1 (0.68) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL3898192 0.91 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL3905679 0.89 CA12 (0.72) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL472226 0.88 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7095728 0.88 CA12 (0.66) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7203889 0.88 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL6130663 0.86 ALDH1A1 (0.60) ALDH1A1CA12CA2CA9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486544-B2 Manganese chelates and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2016-11-08 US disclosed
EP-2512524-B1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2016-10-05 EP disclosed
EP-2512524-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE Healthcare AS (NO) 2012-10-24 EP disclosed
US-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2012-09-27 US disclosed
WO-2011073371-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-06-23 WO disclosed
EP-0882055-B1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 EP disclosed
EP-0570574-B1 BICYCLOPOLYAZAMACROCYCLOPHOSPHONIC ACID COMPLEXES, THEIR PREPARATION, CONJUGATES AND RADIOPHARMACEUTICALS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5834456-A MAGNETIC RESONANCE IMAGING AND IN VIVO SPECTROSCOPY OF FLUORINE; SENSITIVITY, TISSUE DISTRIBUTION THE DOW CHEMICAL COMPANY (US) 1998-11-10 US disclosed
US-5750660-A CONTRAST AGENTS; MEDICAL DIAGNOSIS THE DOW CHEMICAL COMPANY (US) 1998-05-12 US disclosed
US-5739294-A MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed
US-5480990-A COMPLEXES WITH GADOLIUM, MANGANESE AND IRON IONS AND JOINED TO ANTIBODIES FOR MEDICAL DIAGNOSIS THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed
US-5428139-A Anticarcinogenic agents THE DOW CHEMICAL COMPANY (US) 1995-06-27 US disclosed
WO-1994026313-A1 BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES, PROCESSES FOR THEIR PREPARATION, AND USE AS CONTRAST AGENTS THE DOW CHEMICAL COMPANY (US) 1994-11-24 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 (1 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-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) MAG, MPI, MB ALDH1A1 4435/4885CA12 223/4885CA2 264/4885

“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.