SCHEMBL598551

SCHEMBL598551

Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
CA12 O43570 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
ALOX15 P16050 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
GLA P06280 1/20 0.50
MBTD1 Q05BQ5 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL8199849 0.98 ALDH1A1 (0.74) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL2015532 0.98 ALDH1A1 (0.74) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7961779 0.95 ALDH1A1 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL15854998 0.94 ALDH1A1 (0.68) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL3905679 0.90 CA12 (0.72) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL3898192 0.89 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL472226 0.89 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7095728 0.89 CA12 (0.66) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL7203889 0.89 CA12 (0.70) ALDH1A1CA12CA2CA9ALOX15
SCHEMBL6130663 0.88 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 211 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276416-A1 METHOD FOR PREPARING NOTA DERIVATIVE Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2019-09-12 US claimed
US-20250057990-A1 TISSUE-SPECIFIC MANGANESE BASED MRI CONTRAST AGENTS UNIV CASE WESTERN RESERVE (US) 2025-02-20 US disclosed
US-20230288610-A1 WAVELENGTH SELECTIVE ABSORPTION FILTER AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-09-14 US disclosed
US-20230288610-A1 WAVELENGTH SELECTIVE ABSORPTION FILTER AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-09-14 US disclosed
WO-2023122564-A2 TISSUE-SPECIFIC MANGANESE BASED MRI CONTRAST AGENTS CASE WESTERN RESERVE UNIVERSITY (US) 2023-06-29 WO disclosed
US-20190276416-A1 METHOD FOR PREPARING NOTA DERIVATIVE Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2019-09-12 US disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 US disclosed
US-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-5386028-A Process for the production of N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,8,11-tetraazacyclotetradecane derivatives and their metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-01-31 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
EP-0545511-A2 Process for the preparation of mono-N-substituted tetraazamacrocycles SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-09 EP 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-0352218-A2 Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
US-4639365-A Gadolinium chelates as NMR contrast agents THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1987-01-27 US disclosed
EP-0198051-A1 GADOLINIUM CHELATES AS NMR CONTRAST AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1986-10-22 EP disclosed
WO-1986002352-A1 GADOLINIUM CHELATES AS NMR CONTRAST AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1986-04-24 WO disclosed
US-4001212-A EXTRACT METAL IONS FROM SOLUTION AND COMPLEX E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 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 (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-20250057990-A1 TISSUE-SPECIFIC MANGANESE BASED MRI CONTRAST AGENTS TFRC, MTPN, MYADM ALDH1A1 4728/4885CA12 493/4885CA2 810/4885

“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.