SCHEMBL5488393

SCHEMBL5488393

O=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.35
CA1 P00915 5/20 0.35
MMP1 P03956 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
CA9 Q16790 1/20 0.33
F2 P00734 4/20 0.32
PRSS1 P07477 4/20 0.32
PRSS2 P07478 4/20 0.32
PRSS3 P35030 4/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
Ammonia Solution, Strong SCHEMBL5489255 0.98 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL5487823 0.91 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL17469885 0.91 CA2 (0.36) CA2CA1CA9TSHRTDP1
SCHEMBL17469880 0.91 CA2 (0.36) CA2CA1CA9TSHRTDP1
Ammonia Solution, Strong SCHEMBL5491551 0.90 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL18632022 0.86 CA2 (0.36) CA2CA1CA9TSHRTDP1
SCHEMBL17469735 0.85 CA2 (0.39) CA2CA1CA9TSHRTDP1
SCHEMBL17456448 0.84 CA1 (0.34) CA2CA1CA9TSHRTDP1
SCHEMBL17456378 0.83 CA2 (0.37) CA2CA1CA9TSHRTDP1
SCHEMBL17466292 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219379-A1 Ionic Liquid and Process for Producing the Same KANEKA CORPORATION (JP) 2007-09-20 US disclosed
CN-1653641-A Nonaqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEM CORP (JP) 2005-08-10 CN 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-20070219379-A1 Ionic Liquid and Process for Producing the Same HCN4, HCN2, HCN3 CA2 766/4885CA1 2585/4885MMP1 2201/4885

“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.