SCHEMBL5003784

SCHEMBL5003784

COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 12/20 1.00
PRSS1 P07477 7/20 1.00
F2 P00734 3/20 1.00
PLG P00747 3/20 1.00
KLK1 P06870 3/20 1.00
PLAT P00750 2/20 0.54
F10 P00742 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL7341860 0.92 PLAU (0.85) PLAUPRSS1F2PLGKLK1
SCHEMBL7344706 0.74 PLAU (0.87) PLAUPRSS1F2PLGKLK1
SCHEMBL7336079 0.70 PLAU (0.60) PLAUPRSS1F2PLGKLK1
Trifluoroacetic Acid SCHEMBL7340873 0.69 PLAU (0.82) PLAUPRSS1F2PLGKLK1
Trifluoroacetic Acid SCHEMBL7336175 0.69 PLAU (0.82) PLAUPRSS1F2PLGKLK1
SCHEMBL7336788 0.68 PLAU (0.56) PLAUPRSS1F2PLGKLK1
SCHEMBL7334924 0.67 PLAU (0.58) PLAUPRSS1F2PLGKLK1
SCHEMBL7332586 0.67 PRSS1 (0.59) PLAUPRSS1F2PLGKLK1
SCHEMBL7339135 0.65 PLAU (0.56) PLAUPRSS1F2PLGKLK1
SCHEMBL7342386 0.64 PLAU (0.55) PLAUPRSS1F2PLGKLK1

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 13 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
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed