SCHEMBL5556527

SCHEMBL5556527

O=C(O)CN(CC(=O)O)S(=O)(=O)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 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.49
MMP2 P08253 11/20 0.49
MMP9 P14780 11/20 0.49
MMP8 P22894 11/20 0.49
MMP13 P45452 11/20 0.49
CA2 P00918 11/20 0.49
CA1 P00915 8/20 0.49
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7956673 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7971831 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6337782 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6339306 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2892539 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6340658 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
Ammonia Solution, Strong SCHEMBL25289792 0.89 MMP1 (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5246450 0.89 MMP1 (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL770760 0.88 MMP1 (0.46) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5436074 0.87 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13

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
EP-1088558-B1 Galenic formulations comprising paramagnetic and diamagnetic compounds BAYER SCHERING PHARMA AG (DE) 2007-06-27 EP disclosed
US-20060093554-A1 Galenical formulations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
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
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
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
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
EP-1088558-A2 Galenic formulations SCHERING AKTIENGESELLSCHAFT (DE) 2001-04-04 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 (3 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-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 MMP1 252/4885MMP2 2091/4885MMP9 949/4885
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 MMP1 134/4885MMP2 2320/4885MMP9 825/4885
US-20060093554-A1 Galenical formulations GALC, GALR2, GALR1 MMP1 4375/4885MMP2 4832/4885MMP9 4692/4885

“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.