SCHEMBL6139837

SCHEMBL6139837

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)COCC(O)CO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.33
F2 P00734 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL5131021 0.94 C3AR1 (0.34) C3AR1F2CA12CA1CA2
SCHEMBL6862733 0.86 GLP1R (0.33) F2CA12CA1CA2CA9
SCHEMBL5038355 0.86 GLP1R (0.33) F2CA12CA1CA2CA9
SCHEMBL6139416 0.81 CPB2 (0.36) CA12CA1CA2CA9CPB2
SCHEMBL5035365 0.80 TGM2 (0.45) CPB2
Lysine SCHEMBL5035367 0.77 GSR (0.43)
SCHEMBL5038323 0.74 TGM2 (0.42) C3AR1CA1CA2CPB2
SCHEMBL5038292 0.73 TGM2 (0.42) CA1CA2CPB2
SCHEMBL6862744 0.73 TGM2 (0.42) CA1CA2CPB2
Lysine SCHEMBL6139631 0.70 GSR (0.36)

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 7 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
EP-1307237-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION 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
WO-2002013875-A2 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION 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 (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 C3AR1 2003/4885F2 57/4885CA12 534/4885
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 C3AR1 1406/4885F2 40/4885CA12 535/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT C3AR1 476/4885F2 33/4885CA12 2659/4885

“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.