SCHEMBL9357262

SCHEMBL9357262

O=C(O)CN(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
EYA2 O00167 1/20 0.41
APP P05067 1/20 0.41
ACE P12821 1/20 0.41
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL13303095 0.74
SCHEMBL13596346 0.74 ALDH1A1 (0.33) TDP1LMNA
SCHEMBL5961426 0.72 TDP1 (0.38) TDP1EYA2APPACELMNA
SCHEMBL816963 0.72 EGLN1 (0.47) LMNAPMP22KDM4ETSHRALKBH5
SCHEMBL3657584 0.71 TDP1 (0.41) TDP1EYA2APPACELMNA
SCHEMBL13303091 0.69 TSHR (0.42) LMNAKDM4ETSHRMLYCDHSD17B10
SCHEMBL3803673 0.69 TDP1 (0.39) TDP1EYA2APPACELMNA
SCHEMBL9748731 0.69 ADRA1A (0.43) TDP1EYA2APPACELMNA
SCHEMBL10909276 0.69 ADRA1A (0.43) TDP1EYA2APPACELMNA
SCHEMBL2323615 0.67 TDP1 (0.50) TDP1EYA2APPACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20090320718-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
US-20090320718-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
EP-0548155-B1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING & MFG (US) 1994-11-23 EP disclosed
EP-0548155-A1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES. MINNESOTA MINING & MFG (US) 1993-06-30 EP disclosed
US-5108556-A Electrochemically fluorinating a tertiary thioamide precursor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-28 US disclosed
WO-1992005142-A1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-02 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 (2 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-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 TDP1 4767/4885EYA2 3389/4885APP 4404/4885
US-20090320718-A1 FLUOROSURFACTANTS FPR3, Q6ZSR9, SGMS2 TDP1 2928/4885EYA2 1211/4885APP 4314/4885

“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.