SCHEMBL17890945

SCHEMBL17890945

COC(=O)c1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.48
▸ NR1H2 P55055 2/20 0.47
▸ MAP3K5 Q99683 3/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ABHD6 Q9BV23 1/20 0.39
▸ HCRTR2 O43614 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 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
SCHEMBL29590780 1.00 ESR2 (0.48) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL31198125 0.91 ESR2 (0.51) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL17891266 0.90 ESR2 (0.44) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL29590079 0.90 ESR2 (0.44) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL8794268 0.88 ESR2 (0.52) ESR2NR1H2ABHD6HCRTR2HSD17B10
SCHEMBL25343893 0.85 ESR2 (0.52) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL29784593 0.85 ESR2 (0.52) ESR2NR1H2MAP3K5ESR1ABHD6
SCHEMBL21954157 0.85 ESR2 (0.56) ESR2NR1H2MAP3K5HCRTR2HSD17B10
SCHEMBL30390511 0.85 ESR2 (0.56) ESR2NR1H2MAP3K5HCRTR2HSD17B10
SCHEMBL26132579 0.85 ESR2 (0.56) ESR2NR1H2MAP3K5HCRTR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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
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
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
US-9809574-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-07-07 — — 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-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP7, CASP3 ESR2 1857/4885NR1H2 234/4885MAP3K5 1294/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 ESR2 1822/4885NR1H2 194/4885MAP3K5 1373/4885
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RECQL, UQCRB, IRF3 ESR2 1798/4885NR1H2 219/4885MAP3K5 1265/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 ESR2 1857/4885NR1H2 234/4885MAP3K5 1294/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 ESR2 1822/4885NR1H2 194/4885MAP3K5 1373/4885

“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.

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