Fluoride

Fluoride

SCHEMBL1335974

CCC(C)Sc1ccccc1.CCC(C)Sc1ccccc1.CCC(C)Sc1ccccc1.F.F.F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SLC6A4 P31645 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1453904 0.98 L3MBTL1 (0.45) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL1454709 0.80 MAOA (0.41) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL8387097 0.80 MAOA (0.61) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL1721851 0.77 MAOA (0.42) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL585722 0.77 MAOA (0.42) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL1454786 0.77 MAOA (0.42) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL20449068 0.77 MAOA (0.47) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL9052050 0.77 TRPA1 (0.42) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL1455005 0.77 PPARG (0.43) MAOAMAOBALDH1A1GAAL3MBTL1
SCHEMBL1455148 0.77 L3MBTL1 (0.38) MAOAMAOBALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO disclosed
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 US disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 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 (4 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS MAOA 220/4885MAOB 69/4885ALDH1A1 1367/4885
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS MAOA 634/4885MAOB 359/4885ALDH1A1 916/4885
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD MAOA 43/4885MAOB 89/4885ALDH1A1 600/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS MAOA 292/4885MAOB 96/4885ALDH1A1 1500/4885

“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.