SCHEMBL290043

SCHEMBL290043

OB(O)c1cc2cc(F)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.58

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
SCHEMBL29956374 1.00 MGLL (0.58) MGLL
SCHEMBL6607895 0.85 MGLL (0.58) MGLL
SCHEMBL14405961 0.78 MGLL (0.60) MGLL
SCHEMBL29954520 0.78 MGLL (0.60) MGLL
SCHEMBL289762 0.77 MGLL (0.58) MGLL
SCHEMBL1901107 0.77 MGLL (0.58) MGLL
SCHEMBL2205839 0.77 MGLL (0.58) MGLL
SCHEMBL29956870 0.77 MGLL (0.53) MGLL
SCHEMBL24303551 0.74 BACE1 (0.53)
SCHEMBL8212 0.74 MGLL (1.00) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327497-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-16 US disclosed
US-9663514-B2 Substituted 6-aza-isoindolin-1-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-30 US disclosed
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
EP-2723739-B1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2016-08-24 EP disclosed
US-20150274723-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
US-9056873-B2 Substituted 6-aza-isoindolin-1-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-16 US disclosed
US-8916561-B2 Substituted quinoxaline compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-20140206680-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-24 US disclosed
EP-2723739-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2014-04-30 EP disclosed
WO-2012177714-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-27 WO disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 US disclosed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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 (6 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 MGLL 2688/4885
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MGLL 3613/4885
US-20150274723-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK MGLL 4165/4885
US-20140206680-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK MGLL 4165/4885
US-20170327497-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK MGLL 4165/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MGLL 3613/4885

“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.