SCHEMBL5378117

SCHEMBL5378117

CCCCCCN(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 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.41
MMP2 P08253 7/20 0.41
MMP9 P14780 7/20 0.41
MMP8 P22894 7/20 0.41
MMP13 P45452 7/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 4/20 0.41
CES1 P23141 5/20 0.34
FAAH O00519 3/20 0.34
CES2 O00748 2/20 0.34

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
SCHEMBL5373953 1.00 MMP1 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5436074 0.90 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7956159 0.90 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6337782 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6340658 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7956673 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2892539 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7971831 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6339306 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5556527 0.83 MMP1 (0.49) 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
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
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
CN-1203898-C Perfluoroalkyl-containing metal complexes, its preparing method and use in NMR diagnostics SCHRING AG (DE) 2005-06-01 CN disclosed
US-20030232012-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2003-12-18 US disclosed
US-6468502-B1 PARAMAGNETIC MACROMOLECULES WITH HIGHER PROTON RELAXIVITY; LOWER DOSAGE AND INCREASED SIGNAL INTENSITY; DETECTING VASCULAR DISEASES; DIFFERENTIATING TISSUE BLOOD SUPPLY LEVELS; DISTINGUISHING MYOCARDIAL INFARCTION FROM ISCHEMIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-6180113-B1 USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-01-30 US disclosed
CN-1209754-A Perfluoroalkyl-containing metal complexes, its preparing method and use in NMR diagnostics SCHRING AG (DE) 1999-03-03 CN 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-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis FABP1, FLOT1, AFF1 MMP1 4047/4885MMP2 4449/4885MMP9 3739/4885

“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.