SCHEMBL2387018

SCHEMBL2387018

COC(=O)c1ccc(CC2(F)CCCCCC=C2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RORC P51449 1/20 0.38
CYP2C19 P33261 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.34
GLA P06280 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTPRB P23467 1/20 0.33
STS P08842 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2387016 1.00 RAB9A (0.39) RAB9ALMNANPC1HTTMAPT
SCHEMBL30295460 0.82 CYP2C19 (0.35) RAB9ALMNANPC1HTTMAPT
SCHEMBL13912716 0.78 MAPT (0.35) NPC1MAPTALDH1A1RORCCYP2C19
SCHEMBL2385539 0.76 NPC1 (0.50) RAB9ALMNANPC1HTTMAPT
SCHEMBL2387203 0.73 MEN1 (0.37) LMNANPC1MAPTALDH1A1CYP2C19
SCHEMBL2387207 0.73 MEN1 (0.37) LMNANPC1MAPTALDH1A1CYP2C19
SCHEMBL5679288 0.69 CA2 (0.55) RAB9ALMNANPC1MAPTALDH1A1
SCHEMBL20730047 0.69 RXRA (0.40) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL1928327 0.68 STS (0.65) RAB9ALMNANPC1MAPTALDH1A1
SCHEMBL2503247 0.68 MAPT (0.41) RAB9AMAPTALDH1A1KMT2A

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-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
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

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 RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20130344527-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-10434111-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-11278554-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP RAB9A 4440/4885LMNA 1871/4885NPC1 4502/4885
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 RAB9A 4140/4885LMNA 3610/4885NPC1 4228/4885

“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.