SCHEMBL723839

SCHEMBL723839

NC(=O)Cc1cc(=O)oc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.76
FYN P06241 1/20 0.76
AKR1B1 P15121 1/20 0.76
GRB2 P62993 1/20 0.76
ALDH1A1 P00352 3/20 0.68
GAA P10253 2/20 0.68
KDM4E B2RXH2 2/20 0.68
GLA P06280 1/20 0.68
HSD17B3 P37058 8/20 0.68
ERAP1 Q9NZ08 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
MAOB P27338 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL263980 0.86 AKR1B1 (1.00) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL17403166 0.85 AKR1B1 (0.72) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL180110 0.85 LCK (0.55) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL13840541 0.85 AKR1B1 (0.76) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL31415321 0.85 LCK (0.55) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL7115912 0.84 LCK (0.54) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL1252272 0.83 HSD17B3 (0.73) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL13839157 0.82 AKR1B1 (0.72) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL20767983 0.82 HSD17B3 (0.68) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL12729968 0.82 AKR1B1 (0.76) LCKFYNAKR1B1GRB2ALDH1A1

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-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
EP-2191006-B1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIV WASHINGTON (US) 2012-11-21 EP disclosed
WO-2012027612-A1 MASS SPECTROMETRIC COMPOSITIONS AND METHODS FOR LYSOSOMAL STORAGE DISEASE SCREENING GELB MICHAEL (US) 2012-03-01 WO 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
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US 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
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 US disclosed
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 CN disclosed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 EP disclosed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 WO disclosed
EP-1062361-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 2000-12-27 EP disclosed
US-5998593-A COUMARIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-12-07 US disclosed
WO-1999046402-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 1999-09-16 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 (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-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE LCK 4717/4885FYN 4354/4885AKR1B1 1920/4885
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE LCK 4717/4885FYN 4354/4885AKR1B1 1920/4885
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 LCK 3834/4885FYN 1610/4885AKR1B1 44/4885

“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.