SCHEMBL2383963

SCHEMBL2383963

CCCCCCC#CN1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.48
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
FAAH O00519 3/20 0.48
PTPN7 P35236 4/20 0.39
HMGCR P04035 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
KCNH2 Q12809 2/20 0.38
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL379177 0.84 MGLL (0.39) MGLLPTGS1PTGS2FAAH
SCHEMBL6078313 0.78 PTPN7 (0.39) MGLLPTGS1PTGS2FAAHPTPN7
SCHEMBL5069988 0.74 NR1H2 (0.44) KCNH2
SCHEMBL11484029 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17965749 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17965756 0.68
SCHEMBL9367475 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL21294357 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17377642 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL29020570 0.68 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
US-10434111-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-08 US disclosed
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-25 US disclosed
US-9260371-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-16 US disclosed
EP-1812031-B1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES UNIV CALIFORNIA (US) 2015-06-24 EP disclosed
US-20130344527-A1 Compositions and Methods for Modification of Biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-26 US disclosed
US-8461298-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-11 US disclosed
US-8431558-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-30 US disclosed
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-01 US disclosed
US-7807619-B2 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-05 US disclosed
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-12 US disclosed
EP-1812031-A2 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-01 EP disclosed
US-20060110782-A1 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-05-25 US disclosed
WO-2006050262-A2 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-11 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 (8 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-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20130344527-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-10434111-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MGLL 2030/4885PTGS1 2564/4885PTGS2 2726/4885
US-20060110782-A1 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling PTMS, QPCT, DNPEP MGLL 2317/4885PTGS1 2434/4885PTGS2 2792/4885

“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.