SCHEMBL6139891

SCHEMBL6139891

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.O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6860884 0.84 F2 (0.31)
SCHEMBL5032641 0.80 F2 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL28347851 0.72 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CA2CA12CA1
SCHEMBL6139756 0.71 F2 (0.33)
SCHEMBL18954799 0.71 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6139797 0.70 F2 (0.32)
SCHEMBL6234104 0.70 F2 (0.31) CA2CA1
Pentetic Acid SCHEMBL5369168 0.70 TDP1 (0.35) CA2CA12CA1CA9
SCHEMBL18971961 0.69 MEN1 (0.49) L3MBTL1SMN1; SMN2CA2CA12CA1
SCHEMBL18954662 0.67 KMT2A (0.50) L3MBTL1SMN1; SMN2CA2CA12CA1

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 L3MBTL1 275/4885CYP3A4 4036/4885SMN1; SMN2 1681/4885
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 L3MBTL1 296/4885CYP3A4 3634/4885SMN1; SMN2 1343/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT L3MBTL1 375/4885CYP3A4 3573/4885SMN1; SMN2 3768/4885

“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.