SCHEMBL5369470

SCHEMBL5369470

Cc1ccc(S(=O)(=O)OCCC(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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
ALDH1A1 P00352 6/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 1/20 0.36
PSMD10 O75832 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 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
SCHEMBL5365715 1.00 CA1 (0.39) CA1CA2ALDH1A1CA12CA9
SCHEMBL3343193 0.99 ALDH1A1 (0.39) CA1CA2ALDH1A1CA12CA9
SCHEMBL6853749 0.92 ALDH1A1 (0.38) CA1CA2ALDH1A1CA12CA9
SCHEMBL6852562 0.92 ALDH1A1 (0.38) CA1CA2ALDH1A1CA12CA9
SCHEMBL6849012 0.89 PSMD10 (0.37) CA1CA2ALDH1A1CA12CA9
SCHEMBL6849019 0.89 PSMD10 (0.37) CA1CA2ALDH1A1CA12CA9
SCHEMBL9995667 0.88 CA12 (0.40) CA1CA2ALDH1A1CA12CA9
SCHEMBL5531391 0.88 PSMD10 (0.38) CA1CA2ALDH1A1CA12CA9
SCHEMBL6534983 0.86 CA1 (0.34) CA1CA2ALDH1A1CA12CA9
SCHEMBL4335889 0.85 CA2 (0.39) CA1CA2ALDH1A1CA12CA9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491244-B2 Labeled fluorocarbon agents for positron emission tomography imaging Sunnybrook Research Institute (CA) 2022-11-08 US disclosed
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
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
EP-0874645-B1 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AG (DE) 2002-04-03 EP disclosed
EP-0882010-B1 PHARMACEUTICAL AGENTS CONTAINING PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THE USE THEREOF IN TUMOUR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-05-02 EP disclosed
US-6180113-B1 USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-01-30 US disclosed
EP-0874645-A2 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-04 EP disclosed
WO-1997026017-A2 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-24 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 (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 CA1 2320/4885CA2 1733/4885ALDH1A1 4185/4885

“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.