SCHEMBL7013840

SCHEMBL7013840

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 4/20 0.47
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
PTGER1 P34995 6/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 4/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MCL1 Q07820 1/20 0.42
PLA2G2A P14555 3/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
PLA2G5 P39877 1/20 0.41
BCL2L1 Q07817 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
SCHEMBL7015597 0.87 PLA2G1B (0.54) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7006648 0.86 PLA2G1B (0.44) PLA2G1BATP4AATP4BPTGER1
SCHEMBL7016240 0.85 ATM (0.44) PLA2G1BATP4AATP4BPTGER1PTGER4
SCHEMBL7014844 0.85 ATM (0.48) PLA2G1BATP4AATP4BPTGER1RXRA
SCHEMBL7005971 0.84 MRGPRX4 (0.45) PLA2G1BATP4AATP4BPLA2G2A
SCHEMBL8324753 0.84 RXRA (0.42) PLA2G1BATP4AATP4BPTGER1PTGER4
SCHEMBL8320616 0.84 MRGPRX4 (0.45) PLA2G1BATP4AATP4BPTGER1RXRA
SCHEMBL7010500 0.81 PLA2G1B (0.55) PLA2G1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL7013814 0.80 ATP4A (0.42) PLA2G1BATP4AATP4BPTGER1PTGER4
SCHEMBL7007210 0.80 PLA2G1B (0.53) PLA2G1BPTGER1RXRARXRBRXRG

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
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
US-20030149000-A1 Method for the treatment of disorders associated with apoptosis using N-heterocyclic glyoxylamide compounds SHIONOGI & CO., LTD. 2003-08-07 US disclosed
US-6214855-B1 AFTERTREATMENT OF STROKE SHIONOGI & CO., LTD. (JP) 2001-04-10 US disclosed
EP-1037630-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-09-27 EP disclosed
EP-0977566-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-02-09 EP disclosed
WO-1999024033-A1 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
WO-1999024026-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP 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-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO 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-20030149000-A1 Method for the treatment of disorders associated with apoptosis using N-heterocyclic glyoxylamide compounds BAX, CASP3, CASP5 PLA2G1B 2849/4885ATP4A 2823/4885ATP4B 3728/4885

“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.