SCHEMBL17838136

SCHEMBL17838136

CS(=O)(=O)OCC[C@@H]1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 13/20 0.42
ALDH1A1 P00352 2/20 0.40
ACE P12821 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCL2 P10415 1/20 0.38

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
SCHEMBL29591959 0.85 NPSR1 (0.48) NR1D1NPSR1
SCHEMBL5064885 0.78 ACE (0.43) NR1D1ACEPOLBBCL2
SCHEMBL17838137 0.77 OPRM1 (0.43) NR1D1ACEPOLBBCL2
SCHEMBL5069178 0.77 ACE (0.42) NR1D1ACEPOLB
SCHEMBL28826000 0.76 OPRM1 (0.43) NR1D1ACEPOLBKDM4EBCL2
SCHEMBL25378557 0.76 OPRM1 (0.56) NR1D1ACEPOLBBCL2
SCHEMBL17559495 0.75 BCL2 (0.47) NR1D1ACEPOLBBCL2
SCHEMBL4595358 0.75 BCL2 (0.47) NR1D1ACEPOLBBCL2
SCHEMBL17559498 0.75 BCL2 (0.47) NR1D1ACEPOLBBCL2
SCHEMBL4783225 0.74 OPRM1 (0.53) NR1D1ACEBCL2

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 13 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
US-10414754-B2 Indolizine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-09-17 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-20180186771-A1 INDOLIZINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-07-05 US disclosed
US-9944620-B2 Indolizine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2018-04-17 US 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
EP-3024833-B1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2017-09-06 EP 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
US-20160176848-A1 INDOLIZINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-23 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 (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-20180186771-A1 INDOLIZINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, API5, IDO2 NR1D1 207/4885ALDH1A1 4148/4885ACE 2330/4885
US-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP7, CASP3 NR1D1 424/4885ALDH1A1 3706/4885ACE 3307/4885
US-10414754-B2 Indolizine compounds, a process for their preparation and pharmaceutical compositions containing them IDO1, API5, IDO2 NR1D1 207/4885ALDH1A1 4148/4885ACE 2330/4885
US-20160176848-A1 INDOLIZINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, API5, IDO2 NR1D1 207/4885ALDH1A1 4148/4885ACE 2330/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 NR1D1 381/4885ALDH1A1 3758/4885ACE 3339/4885
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RECQL, UQCRB, IRF3 NR1D1 259/4885ALDH1A1 4037/4885ACE 3017/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 NR1D1 424/4885ALDH1A1 3706/4885ACE 3307/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 NR1D1 381/4885ALDH1A1 3758/4885ACE 3339/4885

“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.