SCHEMBL944717

SCHEMBL944717

c1ccc(C2CCCC2)c(SSc2ccccc2C2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PTGS2 P35354 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HTR2C P28335 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
CEL P19835 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL944629 0.98 CETP (0.43) CETPPTGDR2PTGS2MEN1KMT2A
SCHEMBL944179 0.91 APOBEC3G (0.39) CETPMEN1KMT2AMAPTNPSR1
SCHEMBL5887367 0.84 PTGDR2 (0.41) CETPPTGDR2PTGS2HTR2CHTR1D
SCHEMBL14627410 0.81 PTGDR2 (0.39) CETPPTGDR2PTGS2HTR2CHTR1D
SCHEMBL779938 0.80 CHRNB4 (0.46) PTGDR2PTGS2MEN1KMT2AHTR2C
SCHEMBL42781 0.78 PTGDR2 (0.48) PTGDR2PTGS2HTR2CHTR1DHTR1B
SCHEMBL1093485 0.76 HTR2C (0.38) HTR2CHTR1A
SCHEMBL2089010 0.74 PTGDR2 (0.43) PTGDR2PTGS2MEN1KMT2AHTR2C
Hydrogen Peroxide SCHEMBL3679819 0.73 PTGDR2 (0.55) PTGDR2PTGS2MEN1KMT2ABCHE
Hydrogen Peroxide SCHEMBL11398422 0.73 PTGDR2 (0.55) PTGDR2PTGS2MEN1KMT2ABCHE

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 EP disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 EP disclosed
US-8399720-B2 Methods for producing fluorinated phenylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
EP-2468720-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468721-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468719-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-7820864-B2 2,3,4,5,6-pentafluorophenylsulfur pentafluoride; as intermediates for introduce sulfur pentafluoride groups into various commercial organic molecules; liquid crystals, fungicides, herbicides, and insecticides IM&T RESEARCH, INC. (US) 2010-10-26 US disclosed
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-05-27 US disclosed
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-03-25 US disclosed
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-02-04 US disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 WO disclosed
EP-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 EP disclosed
US-20090287024-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2009-11-19 US disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 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 (5 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-20090287024-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA CETP 4650/4885PTGDR2 3421/4885PTGS2 4593/4885
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 CETP 3274/4885PTGDR2 4118/4885PTGS2 4728/4885
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA CETP 4650/4885PTGDR2 3421/4885PTGS2 4593/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA CETP 4650/4885PTGDR2 3421/4885PTGS2 4593/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA CETP 4650/4885PTGDR2 3421/4885PTGS2 4593/4885

“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.