SCHEMBL4589973

SCHEMBL4589973

O=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
MAPT P10636 1/20 0.32

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
SCHEMBL8370182 1.00 KDM4E (0.42) KDM4ECA2CA1MMP1MMP2
SCHEMBL18954349 0.98 KDM4E (0.44) KDM4ECA2CA1MMP1MMP2
SCHEMBL19677918 0.82 KDM4E (0.40) KDM4EMAPT
SCHEMBL18971963 0.81 KDM4E (0.42) KDM4EMAPT
SCHEMBL1318880 0.80 CA2 (0.41) KDM4ECA2CA1MMP1MMP2
SCHEMBL9963779 0.80 KDM4E (0.41) KDM4EMAPT
SCHEMBL14477201 0.80 KDM4E (0.41) KDM4EMAPT
SCHEMBL15326215 0.76 KDM4E (0.38) KDM4E
SCHEMBL189725 0.76 KDM4E (0.46) KDM4EMAPT
SCHEMBL22091484 0.76 CA2 (0.36) CA2CA1MMP1MMP2MMP9

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6184354-A None JP disclosed
US-7344704-B2 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi SCHERING AG (DE) 2008-03-18 US disclosed
EP-1307237-B9 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2008-01-09 EP disclosed
EP-1088558-B1 Galenic formulations comprising paramagnetic and diamagnetic compounds BAYER SCHERING PHARMA AG (DE) 2007-06-27 EP disclosed
US-7226578-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SHERING AG (DE) 2007-06-05 US disclosed
EP-1519756-B1 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING FOR REPRESENTING INTRAVASCULAR THROMBI BAYER SCHERING PHARMA AG (DE) 2007-05-02 EP disclosed
EP-1307237-B1 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2007-04-11 EP disclosed
US-20060093554-A1 Galenical formulations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6916461-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2005-07-12 US disclosed
US-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
EP-0845058-A1 FIBROUS WEBS HAVING ENHANCED ELECTRET PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-06-03 EP disclosed
WO-1997030969-A1 PHARMACEUTICAL AGENTS CONTAINING PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THE USE THEREOF IN TUMOUR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed
WO-1997026017-A2 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
WO-1997007272-A1 FIBROUS WEBS HAVING ENHANCED ELECTRET PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-02-27 WO disclosed
US-5472481-A Respirator having air filter compressing melt blown polypropylene microfibers and melt processable fluorochemical additive MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-05 US disclosed
US-5451622-A Oil and water repellant, antisoiling fibers and films MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-19 US disclosed
US-5411576-A Polypropylene fibers and melt processable fluoeochemical additive MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-02 US disclosed
EP-0616831-A1 Oily mist resistant electret filter media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-09-28 EP disclosed
JP-H06184354-A COMPOSITION COMPRISING THERMOPLASTIC POLYMER AND FLUOROCHEMICAL PIPERAZINE COMPOUND MINNESOTA MINING & MFG CO <3M> 1994-07-05 JP disclosed
EP-0592884-A1 Composition comprising thermoplastic polymer and fluorochemical piperazine compound MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-04-20 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-20060093554-A1 Galenical formulations GALC, GALR2, GALR1 KDM4E 4212/4885CA2 2890/4885CA1 2871/4885
US-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis FABP1, FLOT1, AFF1 KDM4E 4553/4885CA2 1733/4885CA1 2320/4885

“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.