SCHEMBL915178

SCHEMBL915178

FC(c1ccccc1)C(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
F2 P00734 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL7460838 0.87 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL10338130 0.82 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL3676574 0.82 DPP4 (0.52) DPP4F2HTR2ATAAR1LMNA
SCHEMBL15564749 0.82 LMNA (0.44) TSHRCYP2D6SRCLMNAMAPK1
SCHEMBL15199514 0.82 TAAR1 (0.44) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL28548590 0.82 DPP4 (0.52) DPP4F2HTR2ATAAR1LMNA
SCHEMBL4324793 0.80 CES2 (0.41) DPP4F2TSHRHTR2ATAAR1
SCHEMBL22660973 0.80 DPP4 (0.38) DPP4F2TSHRHTR2ATAAR1
SCHEMBL1193669 0.79 DPP4 (0.47) DPP4F2TSHRHTR2ATAAR1
SCHEMBL60955 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106920994-A A kind of Overcharge prevention electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2017-07-04 CN claimed
CN-106920994-A A kind of Overcharge prevention electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2017-07-04 CN disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP disclosed
US-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents UBE INDUSTRIES, LTD. (JP) 2014-08-21 US disclosed
US-8710270-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2014-04-29 US disclosed
US-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents IM&T RESEARCH, INC. (US) 2011-01-13 US disclosed
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 US disclosed
EP-2046735-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T Research, Inc. (US) 2009-04-15 EP disclosed
US-7501543-B2 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2009-03-10 US disclosed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US disclosed
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 disclosed
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 disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
EP-1119535-A1 NOVEL BROMINE-CONTAINING 1,2-BIS(PHENYL)DIFLUOROMETHANES AND METHOD OF IMPARTING FLAME RETARDANCY TO FLAMMABLE MATERIALS Great Lakes Chemical Corporation (US) 2001-08-01 EP disclosed
WO-2000020364-A1 NOVEL BROMINE-CONTAINING 1,2-BIS(PHENYL)DIFLUOROMETHANES AND METHOD OF IMPARTING FLAME RETARDANCY TO FLAMMABLE MATERIALS GREAT LAKES CHEMICAL CORPORATION (US) 2000-04-13 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 (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-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL DPP4 2573/4885F2 4179/4885TSHR 952/4885
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL DPP4 2573/4885F2 4179/4885TSHR 952/4885
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates PFAS, STS, SCLY DPP4 4085/4885F2 1593/4885TSHR 1750/4885
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL DPP4 2573/4885F2 4179/4885TSHR 952/4885
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 DPP4 2411/4885F2 1046/4885TSHR 330/4885

“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.