SCHEMBL4993083

SCHEMBL4993083

CCc1cc(-c2n[nH]c(C(=O)O)c2-c2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 1.00
HSP90AB1 P08238 4/20 1.00
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
MET P08581 1/20 0.68
PIM1 P11309 1/20 0.68
LTK P29376 1/20 0.68
LMNA P02545 3/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 1/20 0.57
NPY1R P25929 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
SCHEMBL30583164 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL13905842 0.86 HSP90AA1 (0.90) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL13905750 0.84 HSP90AA1 (0.72) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL13905730 0.82 HSP90AA1 (0.70) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL13905683 0.82 HSP90AA1 (0.70) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL1082064 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL30544877 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL3077043 0.80 HSP90AA1 (0.74) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL14396265 0.78 HSP90AA1 (0.76) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL14396291 0.77 HSP90AA1 (0.62) HSP90AA1HSP90AB1MEN1MAPTKMT2A

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
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
WO-2009026658-A1 PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed