SCHEMBL6139711

SCHEMBL6139711

O=S(=O)([O-])c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)[O-])cc4)c4nc(c(-c5ccc(S(=O)(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Mn+4]

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.70
▸ TERT O14746 5/20 0.67
▸ TOP1 P11387 4/20 0.56
▸ CYCS P99999 3/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.47

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
Zinc Ion SCHEMBL31042928 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL8994427 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL2334465 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL498417 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL5051415 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL23706379 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
Zinc Ion SCHEMBL11569891 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL9267975 0.97 TERT (0.71) ENPP2TERTTOP1CYCSABCG2
SCHEMBL2334489 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL30205815 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 — — US disclosed
US-6818203-B2 COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-16 — — US disclosed
US-6676928-B2 AS CONTRAST MEDIA FOR THE VISUALIZATION OF MALIGNANT TUMORS, LYMPH NODES AND NECROTIC TISSUE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 — — US disclosed
US-6641797-B2 As contrast media for the visualization of malignant tumors, lymph nodes and necrotic tissue SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-04 — — US disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 — — US disclosed
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 — — US disclosed
US-20020076379-A1 Perfluoroalkyl-containing complexes with sugar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 — — US disclosed
US-6083479-A Contrast media for infarction and necrosis imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-04 — — 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 (4 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-20020076379-A1 Perfluoroalkyl-containing complexes with sugar radicals, process for their production and their use FGB, MSR1, FFAR1 ENPP2 1719/4885TERT 4595/4885TOP1 1009/4885
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 ENPP2 3094/4885TERT 4635/4885TOP1 1930/4885
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, MALT1 ENPP2 3109/4885TERT 4478/4885TOP1 1397/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT ENPP2 2262/4885TERT 4049/4885TOP1 2030/4885

“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.

Send feedback