SCHEMBL895617

SCHEMBL895617

Fc1ccc(S(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
SOS1 Q07889 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 3/20 0.37

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
SCHEMBL3457995 0.75 MMP2 (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL13499 0.73
SCHEMBL21585248 0.71 CA1 (0.38) CA1CA2MMP2MMP1MMP9
SCHEMBL895453 0.71 ALDH1A1 (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL915791 0.71 GAA (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL1847800 0.71 CYP2A6 (0.50) CA1CA2MMP2MMP1MMP9
SCHEMBL79787 0.71 HSD11B1 (0.55) CA1CA2MMP2MMP1MMP9
SCHEMBL21875050 0.71 TRPV4 (0.39)
SCHEMBL22172301 0.71 ACHE (0.45) CA1CA2MMP2MMP1MMP9
SCHEMBL2121770 0.71 HSD11B1 (0.55) CA1CA2MMP2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522611-B Substituted phenylsulfur trifluoride and other similar fluorinating agents UBE INDUSTRIES 2013-07-17 CN claimed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US claimed
US-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent FLUOROTECH, LLC (US) 2012-04-05 US claimed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US claimed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO claimed
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 US claimed
CN-101522611-A Substituted phenylsulfur trifluoride and other similar fluorinating agents IM & T RES INC (US) 2009-09-02 CN claimed
EP-2046735-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T Research, Inc. (US) 2009-04-15 EP claimed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US claimed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US claimed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO claimed
WO-2008013550-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO claimed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US claimed
WO-2025121400-A1 PRODUCTION METHOD FOR FLUORINATED THIO GROUP–CONTAINING ARYL COMPOUND AGC株式会社 2025-06-12 WO disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 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 (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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS CA1 701/4885CA2 425/4885MMP2 2710/4885
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD CA1 2530/4885CA2 1289/4885MMP2 2155/4885
US-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent AFF2, BRD2, AFF4 CA1 2892/4885CA2 873/4885MMP2 3443/4885
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective TST, DDT, ESD CA1 4165/4885CA2 4299/4885MMP2 1766/4885

“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.