SCHEMBL15670987

SCHEMBL15670987

CC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
KCNH2 Q12809 6/20 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
SCHEMBL4623340 0.85 KCNH2 (0.45) KCNH2
SCHEMBL15670825 0.83 ACHE (0.54) KCNH2
Cetylpyridinium SCHEMBL4624903 0.83 ACHE (0.54) KCNH2
SCHEMBL30081384 0.83 GGPS1 (0.36) KCNH2
SCHEMBL3312380 0.83 GGPS1 (0.36) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL1330325 0.83 KCNH2 (0.41) KCNH2
Cetylpyridinium SCHEMBL4624474 0.82 ACHE (0.53) KCNH2
SCHEMBL4292521 0.81 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL4288346 0.80 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL15993134 0.78 GGPS1 (0.37) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
EP-2914578-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION Merck Patent GmbH (DE) 2015-09-09 EP disclosed
WO-2014067603-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION MERCK PATENT GMBH (DE) 2014-05-08 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-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION STS, ARSA, TST CA2 446/4885CA1 651/4885MMP1 3091/4885

“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.