SCHEMBL2453608

SCHEMBL2453608

C=CCc1cc(C)ccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PDIA6 Q15084 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
MAPK1 P28482 1/20 0.39
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 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
SCHEMBL3626865 0.86 POLB (0.44) POLBALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL30059752 0.84 PTGES2 (0.37) POLBPDIA6ALDH1A1KDM4ECA1
SCHEMBL2812505 0.83 POLB (0.41) POLBALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL11809216 0.83 POLB (0.44) POLBPDIA6ALDH1A1L3MBTL1KDM4E
SCHEMBL11785640 0.81 POLB (0.54) POLBKDM4ELMNACA1CA2
SCHEMBL9282483 0.81 XDH (0.46) POLBALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL4462790 0.81 CA2 (0.45) POLBPDIA6ALDH1A1KDM4ELMNA
SCHEMBL30069489 0.80 KDM4E (0.45) POLBPDIA6ALDH1A1KDM4ELMNA
SCHEMBL1559677 0.80 KDM4E (0.45) POLBPDIA6ALDH1A1KDM4ELMNA
SCHEMBL27580944 0.80 L3MBTL1 (0.39) POLBALDH1A1L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1618157-B1 USE OF POLYANHYDRIDES IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2007-03-14 EP disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 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 (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 POLB 309/4885PDIA6 685/4885ALDH1A1 4132/4885
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS OSBP, CYCS, OSBPL3 POLB 1380/4885PDIA6 1500/4885ALDH1A1 4330/4885
US-20140228563-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG POLB 309/4885PDIA6 685/4885ALDH1A1 4132/4885

“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.