SCHEMBL2352685

SCHEMBL2352685

CCN(CC)CC.CCN(CC)CC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
PTPN11 Q06124 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPIP5K2 O43314 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL2348977 1.00 EPHX1 (0.41) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL17435877 0.89 CA1 (0.39) EPHX1CA2CA1MAPK1SMN1; SMN2
Butane SCHEMBL30418608 0.82 EPHX1 (0.50) EPHX1CA2CA1PTPN11MAPK1
Butane SCHEMBL29598328 0.82 EPHX1 (0.50) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL27093602 0.80 EPHX1 (0.35) EPHX1
Trimethylammonium SCHEMBL29395692 0.79 CA2 (0.46) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL4457449 0.79 CA2 (0.56) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL37874 0.79 CA2 (0.56) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL22821168 0.77 EPHX1 (0.38) EPHX1CA2CA1
SCHEMBL6460339 0.77 EPHX1 (0.38) EPHX1CA2CA1MAPK1SMN1; SMN2

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
EP-2043991-B1 HYDROFORMYLATION PROCESS USING A COBALT-BASED CATALYST IN A NONAQUEOUS IONIC LIQUID IFP Energies Nouvelles (FR) 2011-08-31 EP claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US claimed
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID IFP (FR) 2010-01-14 US claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US disclosed
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID IFP (FR) 2010-01-14 US disclosed
US-20070286783-A1 METHOD OF DEACIDIZING A GASEOUS EFFLUENT WITH EXTRACTION OF THE PRODUCTS TO BE REGENERATED CARRETTE PIERRE-LOUIS 2007-12-13 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-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID NUDT1, GFPT1, QPCT EPHX1 2858/4885CA2 194/4885CA1 176/4885

“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.