SCHEMBL220020

SCHEMBL220020

CC(=O)Oc1ccc2c(CC(=O)OCC(Cl)(Cl)Cl)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 8/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 5/20 0.56
GLA P06280 4/20 0.56
LCK P06239 1/20 0.53
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL219274 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL13839168 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL220134 0.81 KDM4E (0.78) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL20767988 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL68231 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL24025684 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL8863327 0.75 KDM4E (0.65) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL13609430 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29651337 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL335474 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790536-B2 Methods for assaying alpha-L-iduronidase enzymatic activity UNIVERSITY OF WASHINGTON (US) 2017-10-17 US disclosed
US-20170233426-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UNIVERSITY OF WASHINGTON (US) 2017-08-17 US disclosed
US-9481701-B2 Method for 2-sulfation of glycosides UNIVERSITY OF WASHINGTON (US) 2016-11-01 US disclosed
US-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2015-12-10 US disclosed
US-20150158900-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UNIVERSITY OF WASHINGTON (US) 2015-06-11 US disclosed
US-8802833-B2 Method for 2-sulfation of glycosides UNIVERSITY OF WASHINGTON (US) 2014-08-12 US disclosed
EP-2385950-B1 METHOD FOR 2-SULFATION OF GLYCOSIDES UNIV WASHINGTON (US) 2014-03-12 EP disclosed
EP-2191006-B1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIV WASHINGTON (US) 2012-11-21 EP disclosed
US-8088745-B2 Methods for assaying alpha-L-iduronidase enzymatic activity UNIVERSITY OF WASHINGTON (US) 2012-01-03 US disclosed
US-20110288281-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UNIVERSITY OF WASHINGTON (US) 2011-11-24 US disclosed
EP-2385950-A2 METHOD FOR 2-SULFATION OF GLYCOSIDES University Of Washington (US) 2011-11-16 EP disclosed
US-8039496-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-10-18 US disclosed
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2010-08-19 US disclosed
WO-2010081163-A2 METHOD FOR 2-SULFATION OF GLYCOSIDES UNIVERSITY OF WASHINGTON (US) 2010-07-15 WO disclosed
EP-2191006-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY University of Washington (US) 2010-06-02 EP disclosed
WO-2009026252-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2009-02-26 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 (5 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-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE KDM4E 4238/4885ALDH1A1 367/4885HPGD 1422/4885
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE KDM4E 4238/4885ALDH1A1 367/4885HPGD 1422/4885
US-20110288281-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885HPGD 449/4885
US-20150158900-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885HPGD 449/4885
US-20170233426-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885HPGD 449/4885

“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.