SCHEMBL4539252

SCHEMBL4539252

O=C(NCCCC[C@H](NC(=O)C(F)(F)F)C(=O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.69
▸ MMP2 P08253 3/20 0.60
▸ MMP9 P14780 3/20 0.60
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ TGM2 P21980 3/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.57
▸ MMP1 P03956 1/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ MMP7 P09237 1/20 0.55
▸ MMP13 P45452 1/20 0.55

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
SCHEMBL12247713 0.91 FOLH1 (0.63) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL12636074 0.88 MAPT (0.61) FOLH1
SCHEMBL806151 0.88 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL4561005 0.88 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL464715 0.88 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
Trifluoroacetic Acid SCHEMBL8892389 0.86 FOLH1 (0.63) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL18659633 0.85 CTSL (0.62) FOLH1CPB1CPB2SIRT2
SCHEMBL20677210 0.85 FOLH1 (0.73) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL7296591 0.85 FOLH1 (0.73) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL4173691 0.84 FOLH1 (0.72) FOLH1MMP2MMP9CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263040-B2 contrast agents for necrosis imaging, diagnosis of changes in the lymphatic system, inflammatory diseases, cardiovascular diseases, tumour imaging; radioactive materials use in radiotherapy BAYER SCHERING PHARMA AG (DE) 2012-09-11 — — US disclosed
EP-2089362-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-19 — — EP disclosed
US-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-03 — — US disclosed
WO-2008046463-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 — — WO disclosed
EP-1904462-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 — — EP 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-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
WO-2007009637-A2 COMPLEXES CONTAINING PERFLUOROALKYL, THEIR USE AS CONTRAST MEDIA FOR NMR, X-RAY AND RADIO DIAGNOSIS AND RADIOTHERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 — — WO disclosed
US-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 — — US disclosed
EP-1307446-B1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AG (DE) 2005-04-20 — — EP 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
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 — — EP disclosed
EP-1307237-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 — — EP disclosed
EP-1307446-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 — — EP 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
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 — — WO disclosed
WO-2002013875-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 — — WO disclosed
WO-2002014309-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 — — 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 (5 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-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE TFRC, FCGRT, SLC39A14 FOLH1 1367/4885MMP2 2451/4885MMP9 1339/4885
US-20020076379-A1 Perfluoroalkyl-containing complexes with sugar radicals, process for their production and their use FGB, MSR1, FFAR1 FOLH1 1983/4885MMP2 1810/4885MMP9 1502/4885
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 FOLH1 2668/4885MMP2 2091/4885MMP9 949/4885
US-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FRG1, AFF2 FOLH1 2572/4885MMP2 4422/4885MMP9 2982/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT FOLH1 2292/4885MMP2 2621/4885MMP9 1831/4885

“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.

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