SCHEMBL6139416

SCHEMBL6139416

NC(=O)N1CCN(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)CC1.NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.36
FOLH1 Q04609 1/20 0.33
NRP1 O14786 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GSR P00390 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
Lysine SCHEMBL5035367 0.89 GSR (0.43) GSR
Lysine SCHEMBL6139631 0.81 GSR (0.36) GSR
SCHEMBL5035365 0.81 TGM2 (0.45) CPB2
SCHEMBL6862733 0.81 GLP1R (0.33) CPB2CA12CA1CA2CA9
SCHEMBL6139837 0.81 C3AR1 (0.33) CPB2CA12CA1CA2CA9
SCHEMBL5038355 0.81 GLP1R (0.33) CPB2CA12CA1CA2CA9
SCHEMBL5032641 0.75 F2 (0.41) CA1CA2
SCHEMBL6139756 0.74 F2 (0.33)
Trifluoromethanesulfonic Acid SCHEMBL29051861 0.73 FOLH1 (0.47) CPB2FOLH1CA12CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL28645196 0.73 FOLH1 (0.47) CPB2FOLH1CA12CA1CA2

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 5 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-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

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 CPB2 1933/4885FOLH1 2668/4885NRP1 1553/4885
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 CPB2 2498/4885FOLH1 3271/4885NRP1 903/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT CPB2 2853/4885FOLH1 2292/4885NRP1 1243/4885

“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.