SCHEMBL2387207

SCHEMBL2387207

COC(=O)c1ccc(CC2CCCCCC=C2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
PPM1D O15297 1/20 0.36
CYP2C19 P33261 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CYP2C9 P11712 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
SCHEMBL2387203 1.00 MEN1 (0.37) MEN1KMT2AMAPK1EPHX1NPC1
SCHEMBL13912716 0.79 MAPT (0.35) MEN1KMT2AMAPK1EPHX1NPC1
SCHEMBL5567834 0.79 GLA (0.37) MEN1KMT2AMAPK1NPC1ALDH1A1
SCHEMBL5567836 0.79 GLA (0.37) MEN1KMT2AMAPK1NPC1ALDH1A1
SCHEMBL2387018 0.73 RAB9A (0.39) MEN1KMT2ANPC1ALDH1A1CYP2C19
SCHEMBL2387016 0.73 RAB9A (0.39) MEN1KMT2ANPC1ALDH1A1CYP2C19
SCHEMBL2667112 0.73 MTNR1A (0.48)
SCHEMBL2384355 0.71 PTGS1 (0.53) MEN1KMT2AMAPK1EPHX1NPC1
SCHEMBL2503247 0.71 MAPT (0.41) KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5305159 0.70 PTGDR2 (0.44) ALDH1A1SMN1; SMN2

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
US-12048710-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-30 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-11278554-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-22 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 (10 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-12048710-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20130344527-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-10434111-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-11278554-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MEN1 2583/4885KMT2A 4132/4885MAPK1 4072/4885
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 MEN1 2552/4885KMT2A 4324/4885MAPK1 3000/4885

“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.