SCHEMBL4327772

SCHEMBL4327772

COCC#CC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00
MMP2 P08253 19/20 1.00
MMP3 P08254 14/20 1.00
MMP1 P03956 6/20 1.00
MMP9 P14780 1/20 0.73
MMP8 P22894 1/20 0.73

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
SCHEMBL7502924 1.00 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7899837 0.90 MMP13 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7517311 0.90 MMP13 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7508942 0.89 MMP13 (0.80) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7503190 0.89 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7449622 0.88 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7450983 0.87 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7451446 0.87 MMP13 (0.76) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7450537 0.86 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7516814 0.84 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed