SCHEMBL3765136

SCHEMBL3765136

CN(C)c1cccc2c(S(=O)(=O)C(N)CCC[C@H](N)C(=O)O)cccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EDNRA P25101 1/20 0.42
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL26757355 0.83 CA2 (0.54) CA2F2PRSS1PRSS2PRSS3
SCHEMBL4270202 0.82 CA2 (0.52) CA2F2PRSS1PRSS2PRSS3
SCHEMBL8492134 0.81 CA2 (0.57) CA2F2PRSS1PRSS2PRSS3
SCHEMBL29358078 0.81 HDAC4 (0.64) CYP2C19HIF1AHDAC4HDAC10HDAC6
SCHEMBL597355 0.81 HDAC4 (0.64) CYP2C19HIF1AHDAC4HDAC10HDAC6
SCHEMBL13651429 0.81 HDAC4 (0.64) CYP2C19HIF1AHDAC4HDAC10HDAC6
SCHEMBL4506081 0.81 KYNU (0.44) TDP1KMT2A
SCHEMBL28046229 0.80 CA2 (0.59) CA2F2PRSS1PRSS2PRSS3
SCHEMBL11120987 0.80 CA2 (0.47) CA2F2PRSS1PRSS2PRSS3
SCHEMBL9163130 0.79 HDAC4 (0.58) CA2F2PRSS1PRSS2PRSS3

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-7851223-B2 Method to detect emphysema ROAR HOLDING LLC (US) 2010-12-14 US disclosed
US-20050233401-A1 Specificity and activity assay for phospholipid transfer proteins and method for identification and characterization of diseased states ROAR HOLDING LLC 2005-10-20 US disclosed
WO-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed
US-20020127645-A1 Secretory immunoglobulin produced by single cells and methods for making and using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-12 US disclosed
US-6300104-B1 PRODUCING LARGE QUANTITIES OF SECRETORY IMMUNOGLOBULIN A MOLECULES BY TRANSFECTING A SINGLE CELL TYPE WITH AN IMMUNOGLOBULIN CONTAINING A POLYNUCLEOTIDE ENCODING A SECRETORY COMPONENT; COLLECTING, PURIFYING SUPERNATANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-09 US disclosed
WO-1998057993-A9 SECRETORY IMMUNOGLOBULIN PRODUCED BY SINGLE CELLS AND METHODS FOR MAKING AND USING SAME UNIV CALIFORNIA (US) 1999-04-08 WO disclosed
WO-1998057993-A1 SECRETORY IMMUNOGLOBULIN PRODUCED BY SINGLE CELLS AND METHODS FOR MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed
US-5807715-A GENETIC ENGINEERING; TRANSFECTION, GENE EXPRESSION OF DNACODING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-09-15 US disclosed
EP-0119623-B1 MULTILAYER ANALYTICAL ELEMENT FOR NON-ISOTOPIC ASSAY FUJI PHOTO FILM CO., LTD. (JP) 1992-01-08 EP disclosed
EP-0097952-A2 Multilayer analytical element FUJI PHOTO FILM CO., LTD. (JP) 1984-01-11 EP disclosed
US-4108972-A IMMUNOLOGICAL REAGENT EMPLOYING RADIOACTIVE AND OTHER TRACERS DREYER WILLIAM J 1978-08-22 US disclosed