SCHEMBL5557767

SCHEMBL5557767

COCCOCCOCCOCCOCC(=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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
NAMPT P43490 3/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PKM P14618 2/20 0.31
BRD4 O60885 1/20 0.30
GAA P10253 1/20 0.30
BDKRB1 P46663 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5373026 0.76 ALDH1A1 (0.37) ALDH1A1POLBF2PRSS1PRSS2
SCHEMBL6234104 0.74 F2 (0.31) F2PRSS1PRSS2PRSS3
SCHEMBL5038355 0.74 GLP1R (0.33) F2
SCHEMBL6862733 0.74 GLP1R (0.33) F2
SCHEMBL18954623 0.74 ALDH1A1 (0.38) ALDH1A1POLBPKMGAAL3MBTL1
SCHEMBL18971864 0.73 GNAI3 (0.38) ALDH1A1POLBPKML3MBTL1
SCHEMBL18972003 0.73 GNAI3 (0.38) ALDH1A1POLBPKML3MBTL1
SCHEMBL6139797 0.73 F2 (0.32) F2PRSS1PRSS2PRSS3
SCHEMBL5032641 0.71 F2 (0.41) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL22273817 0.71 GNAI3 (0.49) ALDH1A1POLBL3MBTL1

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 EPHX2 4456/4885NAMPT 4834/4885ALDH1A1 4799/4885
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 EPHX2 4557/4885NAMPT 4825/4885ALDH1A1 4595/4885
US-20060093554-A1 Galenical formulations GALC, GALR2, GALR1 EPHX2 3872/4885NAMPT 2940/4885ALDH1A1 3897/4885

“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.