SCHEMBL12201110

SCHEMBL12201110

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.30
RECQL P46063 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
SCHEMBL6128381 0.93 TSHR (0.44) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL10267745 0.93 TSHR (0.44) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL15215884 0.93 TSHR (0.44) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL15215428 0.86 TSHR (0.34) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL15215433 0.84 TSHR (0.36) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL17469885 0.83 CA2 (0.36) TSHRTDP1HTT
SCHEMBL17469880 0.83 CA2 (0.36) TSHRTDP1HTT
SCHEMBL2431992 0.81 TSHR (0.34) TSHRKDM4ETDP1MAPTUSP2
SCHEMBL19332937 0.80 USP2 (0.35) TSHRMAPTUSP2
SCHEMBL5488393 0.79 CA2 (0.35) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066864-A1 PREPARATION OF NOVEL FLUOROCOMPOUNDS, METHODS OF PREPARATION AND COMPOSITIONS MADE THEREFROM HENKEL CORPORATION 2017-03-09 US disclosed
US-8034956-B2 Ionic liquid and method for producing the same, method for forming oxide film on metal surface, electrolyte capacitor and electrolyte KANEKA CORPORATION (JP) 2011-10-11 US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 US disclosed
US-20070263341-A1 Ionic Liquid and Method for Producing the Same, Method for Forming Oxide Film on Metal Surface, Electrolytic Capicitor and Electrolyte KANEKA CORPORATION (JP) 2007-11-15 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-20170066864-A1 PREPARATION OF NOVEL FLUOROCOMPOUNDS, METHODS OF PREPARATION AND COMPOSITIONS MADE THEREFROM WASF2, FDPS, PFAS TSHR 2952/4885KDM4E 3759/4885TDP1 1134/4885

“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.