SCHEMBL2449337

SCHEMBL2449337

C=CCc1c(C)ccc(S(N)(=O)=O)c1CC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA2 P00918 9/20 0.36
CA1 P00915 8/20 0.36
CA9 Q16790 8/20 0.36
CA12 O43570 7/20 0.36
CA14 Q9ULX7 1/20 0.36
CA7 P43166 3/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
Butane SCHEMBL20214161 0.97 PDIA6 (0.37) PDIA6ALDH1A1CA2CA1CA9
SCHEMBL29169847 0.79 CA1 (0.36) CA2CA1CA9CA12CA14
SCHEMBL7705793 0.76 PDIA6 (0.42) PDIA6ALDH1A1CA2CA1CA9
SCHEMBL9253769 0.74 GABRA1 (0.41) CA2CA1CA9CA12CA14
SCHEMBL5412420 0.73 MEN1 (0.34) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL2059594 0.73 POLB (0.33) POLBFFAR4
SCHEMBL30114992 0.73 SRD5A1 (0.45) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL4976094 0.73 IMPDH2 (0.45) ALDH1A1POLBNPSR1
SCHEMBL5849188 0.73 SRD5A1 (0.45) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL4621379 0.73 PDIA6 (0.40) PDIA6ALDH1A1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548501-B1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS UNIV WARSZAWSKI (PL) 2021-02-17 EP disclosed
EP-3548501-A1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS Uniwersytet Warszawski (PL) 2019-10-09 EP disclosed
WO-2018100515-A1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS UNIWERSYTET WARSZAWSKI (PL) 2018-06-07 WO 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
EP-3055063-A1 RUTHENIUM POLYMERISATION CATALYSTS University Court of The University of St Andrews (GB) 2016-08-17 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-20140228563-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2014-08-14 US disclosed
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2013-06-27 US disclosed
WO-2013045876-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 WO disclosed
EP-2550284-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS University Court Of The University Of St Andrews (GB) 2013-01-30 EP disclosed
CN-102884070-A ruthenium complexes for olefin metathesis UNIV ST ANDREWS 2013-01-16 CN 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
EP-2044095-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METAHESIS REACTIONS F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008000644-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METAHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
EP-1037897-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS Studiengesellschaft Kohle mbH (DE) 2000-09-27 EP disclosed
WO-1999028330-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-10 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 (3 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-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG PDIA6 685/4885ALDH1A1 4132/4885CA2 4278/4885
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS OSBP, CYCS, OSBPL3 PDIA6 1500/4885ALDH1A1 4330/4885CA2 3705/4885
US-20140228563-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG PDIA6 685/4885ALDH1A1 4132/4885CA2 4278/4885

“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.