SCHEMBL202580

SCHEMBL202580

FC(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31

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
SCHEMBL9398166 0.90 CA2 (0.39) KDM4ETSHRTDP1CA2CA1
SCHEMBL5566604 0.86 KDM4E (0.37) KDM4ETSHRTDP1CA2CA1
SCHEMBL37506 0.85 KDM4E (0.40) KDM4ETSHRTDP1
SCHEMBL6536446 0.85 KDM4E (0.40) KDM4ETSHRTDP1
Sulfuric Acid SCHEMBL22118762 0.84 KDM4E (0.40) KDM4ETSHRTDP1CA2CA1
Sulfuric Acid SCHEMBL21876328 0.84 KDM4E (0.40) KDM4ETSHRTDP1CA2CA1
SCHEMBL21880000 0.82 KDM4E (0.31) KDM4ETSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL9146130 0.82 KDM4E (0.39) KDM4ETSHRTDP1CA2CA1
Iodide SCHEMBL11068952 0.82 KDM4E (0.39) KDM4ETSHRTDP1
Ammonia Solution, Strong SCHEMBL956721 0.82 KDM4E (0.39) KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2021-06-08 US disclosed
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-08-20 US disclosed
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 US disclosed
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-06-23 US disclosed
WO-2020084854-A1 FLUORINATED IMIDE SALT COMPOUND AND SURFACTANT 三菱マテリアル電子化成株式会社 2020-04-30 WO disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 US disclosed
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 EP disclosed
EP-3024826-B1 NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-11-14 EP disclosed
US-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-04 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
WO-2008024724-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
US-6667377-B2 Having pendant groups containing fluorosulfonyl methide or fluorosulfonyl imide derivatives and univalent metal salts thereof; electrochemical applications such as batteries, fuel cells, electrolysis cells E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-23 US disclosed
EP-1060200-B1 SUBSTANTIALLY FLUORINATED IONOMERS DU PONT (US) 2003-01-15 EP disclosed
US-20020045713-A1 Substantially fluorinated ionomers DUPONT POLYMERS, INC. 2002-04-18 US disclosed
EP-1060200-A1 SUBSTANTIALLY FLUORINATED IONOMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-12-20 EP disclosed
WO-1999045048-A1 SUBSTANTIALLY FLUORINATED IONOMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-10 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 (8 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 KDM4E 190/4885TSHR 3976/4885TDP1 569/4885
US-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A KDM4E 978/4885TSHR 4122/4885TDP1 1902/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A KDM4E 978/4885TSHR 4122/4885TDP1 1902/4885
US-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP7, CASP3 KDM4E 3156/4885TSHR 3185/4885TDP1 897/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 KDM4E 3137/4885TSHR 3040/4885TDP1 1009/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 KDM4E 1257/4885TSHR 3224/4885TDP1 2129/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 KDM4E 3156/4885TSHR 3185/4885TDP1 897/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 KDM4E 3137/4885TSHR 3040/4885TDP1 1009/4885

“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.