SCHEMBL2464539

SCHEMBL2464539

O=C(O)C(O)=CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL12333837 0.86 RECQL (0.44) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL24249397 0.85 HSD11B1 (0.46) KMT2AMEN1GAAPOLBHSD11B1
Toluene SCHEMBL2464816 0.82 KMT2A (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2462081 0.81 KDM4E (0.51) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2463018 0.81 KDM4E (0.51) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL19862764 0.79 KMT2A (0.41) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL29658280 0.75 DRD2 (0.56) KMT2AMEN1KDM4EGAADRD2
Hydrochloric Acid SCHEMBL29461349 0.74 DRD2 (0.55) KMT2AMEN1KDM4EGAADRD2
Hydrochloric Acid SCHEMBL29461356 0.74 DRD2 (0.55) KMT2AMEN1KDM4EGAADRD2
SCHEMBL7516057 0.69 HSD11B1 (0.48) KMT2AMEN1GAAPOLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 US claimed
US-20160053241-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2016-02-25 US claimed
US-20130023565-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2013-01-24 US claimed
EP-2547696-A2 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2013-01-23 EP claimed
WO-2011113579-A2 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-09-22 WO claimed
EP-2547696-B1 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-05-23 EP disclosed
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 US disclosed
US-9783794-B2 Influenza A 2009 pandemic H1N1 polypeptide fragments comprising endonuclease activity and their use EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2017-10-10 US disclosed
US-20160053241-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2016-02-25 US disclosed
US-9181307-B2 Influenza A 2009 pandemic H1N1 polypeptide fragments comprising endonuclease activity and their use EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2015-11-10 US disclosed
US-20130023565-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2013-01-24 US disclosed
EP-2547696-A2 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2013-01-23 EP disclosed
WO-2011113579-A2 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-09-22 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-20130023565-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, RNASEH1, MME KMT2A 1535/4885MEN1 1663/4885NPC1 2894/4885
US-20160053241-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 KMT2A 1911/4885MEN1 3792/4885NPC1 2804/4885
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 KMT2A 1911/4885MEN1 3792/4885NPC1 2804/4885

“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.