SCHEMBL2156609

SCHEMBL2156609

Cc1cc2c(O)cccc2n1Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
F10 P00742 5/20 0.44
SRC P12931 1/20 0.43
TP53 P04637 2/20 0.43
PLA2G2A P14555 3/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PLA2G1B P04054 1/20 0.42
CYP19A1 P11511 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
SCHEMBL2157229 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1THRATHRBKLKB1
SCHEMBL2156996 0.90 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1THRATHRBMAPT
SCHEMBL2156788 0.82 DRD4 (0.50) SMN1; SMN2MAPK1MAPTKMT2ATP53
SCHEMBL2156991 0.80 PLA2G2A (0.42) SMN1; SMN2MAPK1MAPTMEN1KMT2A
SCHEMBL2156852 0.78 LMNA (0.48) SMN1; SMN2MAPK1THRATHRBMAPT
SCHEMBL19062528 0.78 CYP19A1 (0.69) SMN1; SMN2MAPK1MAPTMEN1KMT2A
SCHEMBL8502523 0.78 PLA2G2A (0.48) SMN1; SMN2MAPK1THRATHRBKLKB1
SCHEMBL2156892 0.76 PLA2G2A (0.52) SMN1; SMN2MAPK1KLKB1KLK1MAPT
SCHEMBL3919134 0.75 THRB (0.52) SMN1; SMN2MAPK1THRATHRBMAPT
SCHEMBL14529788 0.75 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1039911-B1 MORPHOLINO-N-ETHYL ESTER PRODRUGS OF INDOLE sPLA 2 INHIBITORS LILLY CO ELI (US) 2005-05-25 EP disclosed
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US disclosed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
US-6433001-B1 SEPTIC SHOCK, ALLERGIC RHINITIS, RHEUMATIC ARTHRITIS, ADULT RESPIRATORY DISTRESS SYNDROME, BRONCHIAL ASTHMA, TRAUMA, AND PANCREATITIS TREATMENT ELI LILLY AND COMPANY 2002-08-13 US disclosed
EP-1039911-A4 MORPHOLINO-N-ETHYL ESTER PRODRUGS OF INDOLE sPLA 2 INHIBITORS LILLY CO ELI (US) 2002-07-17 EP disclosed
EP-1030661-A4 N,N-DIETHYLGLYCOLAMIDO ESTER PRODRUGS OF INDOLE sPLA 2? INHIBITORS LILLY CO ELI (US) 2002-07-17 EP disclosed
EP-0675110-B1 1H-Indole-3-glyoxylamide sPLA2 inhibitors LILLY CO ELI (US) 2002-07-10 EP disclosed
EP-1197484-A2 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2002-04-17 EP disclosed
US-5972988-A A 1H-INDOLE-3-GLYOXYLAMIDE COMPOUND FOR TREATING RESPIRATORY SYSTEM DISORDER ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
WO-1999021545-A1 ISOPROPYL ESTER PRODRUGS OF INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-05-06 WO disclosed
WO-1999021546-A1 N,N-DIETHYLGLYCOLAMIDO ESTER PRODRUGS OF INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-05-06 WO disclosed
WO-1999021559-A1 MORPHOLINO-N-ETHYL ESTER PRODRUGS OF INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-05-06 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days PLA2G12A, PLA2G2E, PLA2G3 SMN1; SMN2 674/4885MAPK1 3651/4885THRA 3337/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.