SCHEMBL13036722

SCHEMBL13036722

O=S(=O)(F)C(F)(F)C(F)(F)S(=O)(=O)c1ccc(C(F)(Br)C(F)(F)Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KIF11 P52732 1/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
PTPRZ1 P23471 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
SCHEMBL2993840 0.75 HTR6 (0.42) ALDH1A1SMN1; SMN2CA1CA2CA5A
SCHEMBL13036719 0.72
SCHEMBL14423701 0.70 KIF11 (0.30) KIF11LMNAMAPK1HTTSMN1; SMN2
SCHEMBL13036723 0.69
SCHEMBL14194251 0.65 KIF11 (0.53) ALDH1A1KIF11CA1CA2CA9
SCHEMBL4318859 0.63 MCL1 (0.40) ALDH1A1
SCHEMBL1469751 0.63 CA2 (0.38) CA1CA2
SCHEMBL5017174 0.60 CA1 (0.44) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL571463 0.60 MMP2 (0.43) ALDH1A1MAPK1CA1CA2
SCHEMBL1721980 0.60 CA1 (0.35) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829603-B2 Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-09 US disclosed
US-7829603-B2 Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-09 US disclosed
US-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes U.S. DEPARTMENT OF ENERGY 2008-02-07 US disclosed
US-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes U.S. DEPARTMENT OF ENERGY 2008-02-07 US disclosed
US-20070208092-A1 Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2007-09-06 US disclosed
US-20070208092-A1 Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2007-09-06 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 (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-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes NHERF1, AFF1, SLCO2A1 ALDH1A1 3506/4885KIF11 3026/4885LMNA 1520/4885

“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.