SCHEMBL1177271

SCHEMBL1177271

C=C(C)CN(CC(=C)C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAPT P10636 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL12330056 0.89 GLA (0.46) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL23297778 0.89 SMN1; SMN2 (0.51) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL10017634 0.88 CNR2 (0.54) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL21595413 0.86 GLA (0.51) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL13970193 0.85 CNR2 (0.46) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL2954258 0.84 CA12 (0.71) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL29199474 0.83 GLA (0.48) GLAL3MBTL1PSEN1PSEN2APH1B
SCHEMBL10692733 0.81 GLA (0.59) GLAL3MBTL1CA12CA9KEAP1
SCHEMBL7961836 0.80 KEAP1 (0.68) GLAL3MBTL1KEAP1NFE2L2TAS2R14
SCHEMBL29199488 0.80 GLA (0.45) GLAL3MBTL1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192911-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis APEIRON SYNTHESIS S.A. (PL) 2021-12-07 US disclosed
EP-3356379-B1 PROCESS FOR PRODUCING RUTHENIUM COMPLEXES AND INTERMEDIATES THEREOF AND THEIR USE IN OLEFIN METATHESIS APEIRON SYNTHESIS SA (PL) 2021-03-10 EP disclosed
US-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-03-08 US disclosed
US-9815765-B2 Ruthenium polymerisation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2017-11-14 US disclosed
US-9815765-B2 Ruthenium polymerisation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2017-11-14 US disclosed
WO-2017185324-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN OLEFIN DISPROPORTIONATION REACTIONS XIA, LING (CN) 2017-11-02 WO disclosed
EP-2260047-B2 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES EVONIK DEGUSSA GMBH (DE) 2016-07-20 EP disclosed
US-9233994-B2 Ruthenium complexes for use in olefin metathesis UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2016-01-12 US disclosed
US-9233994-B2 Ruthenium complexes for use in olefin metathesis UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2016-01-12 US disclosed
US-9221042-B2 Metal complexes, especially the ruthenium complexes, and use thereof APEIRON SYNTHESIS S.A. (PL) 2015-12-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
WO-2011117571-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2011-09-29 WO disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-20110040099-A1 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES EVONIK DEGUSSA GMBH (DE) 2011-02-17 US disclosed
US-20110040099-A1 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES EVONIK DEGUSSA GMBH (DE) 2011-02-17 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
WO-2007075427-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS MATERIA, INC. (US) 2007-07-05 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 (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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 GLA 4839/4885L3MBTL1 2495/4885PSEN1 4287/4885
US-20110040099-A1 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES RNF168, CROCC, MRPL21 GLA 3586/4885L3MBTL1 3904/4885PSEN1 3562/4885
US-11192911-B2 Process for producing ruthenium complexes and intermediates thereof and their use in olefin metathesis POR, CYP1B1, CYP4F11 GLA 4006/4885L3MBTL1 3997/4885PSEN1 3229/4885
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 GLA 4839/4885L3MBTL1 2495/4885PSEN1 4287/4885
US-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG GLA 4760/4885L3MBTL1 3905/4885PSEN1 3197/4885

“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.