SCHEMBL26208

SCHEMBL26208

CCC(=O)Cc1c(NC(=O)OC(C)(C)C)cccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL2156903 0.90 MTNR1B (0.40) KMT2AL3MBTL1DRD2RXFP1TSHR
SCHEMBL2157564 0.87 KMT2A (0.43) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL13632213 0.87 KMT2A (0.40) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL2157395 0.84 SMN1; SMN2 (0.41) KMT2AL3MBTL1SMN1; SMN2DRD2TSHR
SCHEMBL17230174 0.83 KMT2A (0.44) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL4846500 0.82 KMT2A (0.43) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL28204913 0.80 KMT2A (0.41) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL7423667 0.80 ALDH1A1 (0.42) KMT2AL3MBTL1DRD2RXFP1PDK1
SCHEMBL8035688 0.80 CA12 (0.38) SMN1; SMN2TSHRKDM4ELMNAMAPT
SCHEMBL8505955 0.78 L3MBTL1 (0.40) KMT2AL3MBTL1SMN1; SMN2DRD2RXFP1

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950200-B1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor LILLY CO ELI (US) 2012-01-11 EP disclosed
EP-2341045-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid (acyloxy)alkyl or ((alkoxycarbonyl)oxy)alkyl ester as SPLA2 inhibitor Eli Lilly and Company (US) 2011-07-06 EP disclosed
EP-1950200-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor ELI LILLY AND COMPANY (US) 2008-07-30 EP disclosed
EP-1202963-B1 SPLA2 INHIBITORS LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1220839-B1 HYDROXYFUNCTIONAL AMIDE 1H-INDOLE DERIVATIVES ACTIVE AS SPLA2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 EP disclosed
US-7026348-B2 Indole sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2006-04-11 US disclosed
EP-1058547-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING THE PHOSPHOLIPASE INHIBITOR SODIUM 3-(2-AMINO-1,2-DIOXOETHYL)-2-ETHYL-1-PHENYLMETHYL)-1H-INDOL-4-YL]OXY]ACETATE SHIONOGI & CO (JP) 2005-11-23 EP disclosed
US-6939890-B2 Antiinflammatory agents; sepsis shock; rheumatic disorders ELI LILLY AND COMPANY (US) 2005-09-06 US disclosed
EP-1084108-A4 SPLA 2? INHIBITOR COMPOUNDS FOR TREATMENT OF DISEASE LILLY CO ELI (US) 2005-01-12 EP disclosed
WO-1999016453-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 1999-04-08 WO disclosed
WO-1999009978-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
WO-1998047507-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
WO-1998042343-A1 METHOD FOR TREATMENT OF CHRONIC BRONCHITIS ELI LILLY AND COMPANY (US) 1998-10-01 WO disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed