SCHEMBL1083249

SCHEMBL1083249

O=S(=O)(NS(=O)(=O)C(F)(F)C(F)=C(F)F)C(F)(F)C(F)=C(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL29291908 0.80 CA1 (0.33) CA1CA2
Lithium SCHEMBL5431630 0.77 CA1 (0.31) CA1CA2
SCHEMBL16990129 0.74 CA1 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL33113 0.72 ALDH1A1 (0.50)
SCHEMBL27771794 0.72 ALDH1A1 (0.32)
Ammonia Solution, Strong SCHEMBL6836121 0.70 ALDH1A1 (0.48)
SCHEMBL17264824 0.70 ALDH1A1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL15667764 0.68
Potassium Ion SCHEMBL8611608 0.68
SCHEMBL5538924 0.68

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-8748671-B2 Ether production method involving alcohol separation by an ionic liquid IFP Energies Nouvelles (FR) 2014-06-10 US claimed
US-20110021847-A1 ETHER PRODUCTION METHOD INVOLVING ALCOHOL SEPARATION BY AN IONIC LIQUID IFP (FR) 2011-01-27 US claimed
US-20050143517-A1 Compositions consisting of cationic polymers comprising amidinium groups and ionic liquids CREAVIS GESELLSCHAFT F. TECHN. U. INNOVATION MBH (DE) 2005-06-30 US claimed
EP-1106595-B1 Improved hydroformylation process with cobalt and/or rhodium based catalysts in a biphasic medium INST FRANCAIS DU PETROLE (FR) 2004-08-11 EP claimed
US-20120153232-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-06-21 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-20110021847-A1 ETHER PRODUCTION METHOD INVOLVING ALCOHOL SEPARATION BY AN IONIC LIQUID ADH1C, ADH1A, ADH5 CA1 3236/4885CA2 4005/4885MMP1 2845/4885

“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.