SCHEMBL597491

SCHEMBL597491

Cc1c(CCCC(=O)O)c2cccc(C#Cc3ccc(OCCCCc4c(F)c(F)c(F)c(F)c4F)cc3)c2n1CCCC(=O)O

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 20/20 0.86
CYSLTR1 Q9Y271 20/20 0.86

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
SCHEMBL597729 0.93 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL598076 0.92 CYSLTR2 (0.73) CYSLTR2CYSLTR1
SCHEMBL598258 0.91 CYSLTR2 (0.85) CYSLTR2CYSLTR1
SCHEMBL598098 0.91 CYSLTR2 (0.85) CYSLTR2CYSLTR1
SCHEMBL597855 0.91 CYSLTR2 (0.72) CYSLTR2CYSLTR1
Water SCHEMBL598774 0.91 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL597467 0.90 CYSLTR2 (0.79) CYSLTR2CYSLTR1
Lysine SCHEMBL599536 0.90 CYSLTR2 (0.73) CYSLTR2CYSLTR1
Lysine SCHEMBL599535 0.90 CYSLTR2 (0.73) CYSLTR2CYSLTR1
SCHEMBL598035 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598223-B2 Crystalline forms of 4, 4′-[4-fluoro-7-({4-[4-(3-fluoro-2-methylphenyl) butoxy] phenyl} ethynyl)-2-methyl-1H-indole-1,3-diyl] dibutanoic acid, 4,4′-[2-methyl-7-({4-[4-(pentafluorophenyl) butoxy] phenyl} ethynyl)-1H-indole-1, 3-diyl] dibutanoic acid, and 4,4′-[4-fluoro-2-methyl-7-({4-[4-(2, 3, 4, 6-tetrafluorophenyl) butoxy] phenyl} ethynyl)-1H-indole-1, 3-diyl] dibutanoic acid ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US claimed
EP-2583964-A1 NOVEL CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, 4,4'-[2-METHYL-7-({4-[4-(PENTAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7-({4-[4-(2,3,4,6-TETRAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO Pharmaceutical Co., Ltd. (JP) 2013-04-24 EP claimed
US-20130090482-A1 CRYSTALLINE FORMS OF 4, 4'- [4-FLUORO-7-( ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL] DIBUTANOIC ACID, 4,4'-[2-METHYL-7-( ETHYNYL)-1H-INDOLE-1, 3-DIYL] DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7- ( ETHYNYL)-1H-INDOLE-1, 3-DIYL] DIBUTANOIC ACID ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-11 US claimed
EP-2206698-B1 Ethynylindole compounds ONO PHARMACEUTICAL CO (JP) 2012-07-18 EP claimed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US claimed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP claimed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 US claimed
EP-2583964-B1 NEW CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO PHARMACEUTICAL CO (JP) 2016-03-23 EP disclosed
US-8598223-B2 Crystalline forms of 4, 4′-[4-fluoro-7-({4-[4-(3-fluoro-2-methylphenyl) butoxy] phenyl} ethynyl)-2-methyl-1H-indole-1,3-diyl] dibutanoic acid, 4,4′-[2-methyl-7-({4-[4-(pentafluorophenyl) butoxy] phenyl} ethynyl)-1H-indole-1, 3-diyl] dibutanoic acid, and 4,4′-[4-fluoro-2-methyl-7-({4-[4-(2, 3, 4, 6-tetrafluorophenyl) butoxy] phenyl} ethynyl)-1H-indole-1, 3-diyl] dibutanoic acid ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2583964-A4 NOVEL CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, 4,4'-[2-METHYL-7-({4-[4-(PENTAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7-({4-[4-(2,3,4,6-TETRAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO PHARMACEUTICAL CO (JP) 2013-11-20 EP disclosed
CN-103080085-A 4,4 ' - [ 4-fluoro-7- ({4- [4- (3-fluoro-2-methylphenyl) butoxy ] phenyl } ethynyl) -2-methyl-1H-indole-1, 3-diyl ] dibutanoic acid, 4 ' - [ 2-methyl-7- ({4- [4- (pentafluorophenyl) butoxy ] phenyl } ethynyl) -1H-indole-1, 3-diyl ] dibutanoic acid and 4,4 ' - [ 4-fluoro-2-methyl-7 ONO PHARMACEUTICAL CO 2013-05-01 CN disclosed
EP-2583964-A1 NOVEL CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, 4,4'-[2-METHYL-7-({4-[4-(PENTAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7-({4-[4-(2,3,4,6-TETRAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO Pharmaceutical Co., Ltd. (JP) 2013-04-24 EP disclosed
EP-2583964-A1 NOVEL CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, 4,4'-[2-METHYL-7-({4-[4-(PENTAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7-({4-[4-(2,3,4,6-TETRAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO Pharmaceutical Co., Ltd. (JP) 2013-04-24 EP disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
WO-2011162222-A1 NOVEL CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, 4,4'-[2-METHYL-7-({4-[4-(PENTAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7-({4-[4-(2,3,4,6-TETRAFLUOROPHENYL)BUTOXY]PHENYL}ETHYNYL)-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID 小野薬品工業株式会社 (JP) 2011-12-29 WO disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 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 (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-20130090482-A1 CRYSTALLINE FORMS OF 4, 4'- [4-FLUORO-7-( ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL] DIBUTANOIC ACID, 4,4'-[2-METHYL-7-( ETHYNYL)-1H-INDOLE-1, 3-DIYL] DIBUTANOIC ACID, AND 4,4'-[4-FLUORO-2-METHYL-7- ( ETHYNYL)-1H-INDOLE-1, 3-DIYL] DIBUTANOIC ACID IDO1, HTR3C, HTR5A CYSLTR2 3247/4885CYSLTR1 2772/4885
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 CYSLTR2 1/4885CYSLTR1 2/4885

“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.