SCHEMBL300304

SCHEMBL300304

[CH2]CCCCNS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
PPARA Q07869 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL299849 0.97 GRIA1 (0.39) GRIA1CA1CA2PPARACA12
SCHEMBL299722 0.97 GRIA1 (0.39) GRIA1CA1CA2PPARACA12
SCHEMBL299772 0.97 GRIA1 (0.39) GRIA1CA1CA2PPARACA12
SCHEMBL300159 0.97 GRIA1 (0.39) GRIA1CA1CA2PPARACA12
SCHEMBL300221 0.97 GRIA1 (0.39) GRIA1CA1CA2PPARACA12
SCHEMBL300345 0.95
SCHEMBL299825 0.83
SCHEMBL29229351 0.83 GRIA1 (0.42) GRIA1CA1CA2PPARACA12
SCHEMBL2043394 0.77 POLB (0.44) GRIA1CA1CA2PPARACA12
SCHEMBL28412908 0.76 GRIA1 (0.37) GRIA1CA1CA2PPARACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880043-B1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2016-09-21 EP claimed
EP-2880043-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS Roche Diagnostics GmbH (DE) 2015-06-10 EP claimed
US-20150148536-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-05-28 US claimed
WO-2014019710-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO claimed
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
EP-2882764-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-03-01 EP disclosed
EP-2882823-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-22 EP disclosed
EP-2880042-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-01 EP disclosed
US-9499573-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-11-22 US disclosed
EP-2880123-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2016-10-05 EP disclosed
EP-2880043-B1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2016-09-21 EP disclosed
US-9416150-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-16 US disclosed
WO-2014019710-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-7393956-B2 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2008-07-01 US disclosed
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 US disclosed
EP-1501897-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2003091345-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 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 (4 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-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES CLIC1, PNPO, CLIC4 GRIA1 3467/4885CA1 149/4885CA2 25/4885
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels HLCS, PDCD2L, LAS1L GRIA1 2902/4885CA1 4473/4885CA2 4588/4885
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides CBR1, CBR3, SCO2 GRIA1 79/4885CA1 126/4885CA2 66/4885
US-20150148536-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS HLCS, PDCD2L, LAS1L GRIA1 2629/4885CA1 4411/4885CA2 4551/4885

“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.