SCHEMBL716585

SCHEMBL716585

CC(=O)Oc1ccc2c(CC(=O)NCCCNC(=O)OC(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
GLA P06280 4/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 2/20 0.52
HIF1A Q16665 1/20 0.52
CYP2D6 P10635 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A43 Q9HB55 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
LCK P06239 2/20 0.47
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
BACE1 P56817 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
SCHEMBL20780149 0.89 KDM4E (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL715791 0.87 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAACYP2D6
SCHEMBL20767986 0.87 KDM4E (0.56) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL716590 0.85 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAACYP2D6
SCHEMBL726886 0.84 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAACYP2D6
SCHEMBL4211454 0.83 ALDH1A1 (0.60) KDM4EALDH1A1GLAGAACYP2D6
SCHEMBL15654259 0.80 CYP2D6 (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL18135307 0.80 CA12 (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL532709 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL4206426 0.78 MAOA (0.64) CYP2D6CYP2C19CYP1A2CYP2C9

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 6 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-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2015-12-10 US disclosed
US-9012663-B2 Methods for assaying α-L-iduronidase enzymatic activity UNIVERSITY OF WASHINGTON (US) 2015-04-21 US disclosed
EP-2191006-B1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIV WASHINGTON (US) 2012-11-21 EP disclosed
US-20120052519-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2012-03-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120052519-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE KDM4E 4238/4885ALDH1A1 367/4885HPGD 1422/4885
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

“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.