SCHEMBL219274

SCHEMBL219274

O=C(Cc1cc(=O)oc2cc(O)ccc12)OCC(Cl)(Cl)Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 6/20 0.67
GAA P10253 3/20 0.67
GLA P06280 3/20 0.67
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
AKR1B1 P15121 1/20 0.62
GRB2 P62993 1/20 0.62
HSD17B3 P37058 8/20 0.56
HPGD P15428 3/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL220020 0.84 KDM4E (0.58) KDM4EALDH1A1GAAGLALCK
SCHEMBL4209634 0.84 KDM4E (0.76) KDM4EALDH1A1GAAGLALCK
SCHEMBL533173 0.81 ALDH1A1 (1.00) KDM4EALDH1A1GAAGLALCK
SCHEMBL29115101 0.78 ALDH1A1 (0.70) KDM4EALDH1A1GAAGLALCK
SCHEMBL10313775 0.78 KDM4E (0.63) KDM4EALDH1A1GAAGLALCK
SCHEMBL263980 0.77 AKR1B1 (1.00) KDM4EALDH1A1GAAGLALCK
SCHEMBL16601626 0.77 KDM4E (0.62) KDM4EALDH1A1GAAGLALCK
SCHEMBL10313774 0.77 KDM4E (0.65) KDM4EALDH1A1GAAGLALCK
SCHEMBL13840541 0.76 AKR1B1 (0.76) KDM4EALDH1A1GAAGLALCK
SCHEMBL723839 0.76 LCK (0.76) KDM4EALDH1A1GAAGLALCK

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 367/4885GAA 2/4885
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE KDM4E 4238/4885ALDH1A1 367/4885GAA 2/4885
US-20110288281-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885GAA 80/4885
US-20150158900-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885GAA 80/4885
US-20170233426-A1 METHOD FOR 2-SULFATION OF GLYCOSIDES UGT8, STS, ST6GAL1 KDM4E 4025/4885ALDH1A1 1844/4885GAA 80/4885

“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.