SCHEMBL5892138

SCHEMBL5892138

NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(=O)O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 18/20 1.00
PLA2G2A P14555 3/20 0.73
PLA2G2E Q9NZK7 3/20 0.73
PLA2G5 P39877 2/20 0.73
PLA2G10 O15496 1/20 0.73
PLA2G2F Q9BZM2 1/20 0.68

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
SCHEMBL7047797 0.92 PLA2G1B (0.94) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL8323100 0.91 PLA2G1B (0.83) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7017169 0.89 PLA2G1B (1.00) PLA2G1B
SCHEMBL7012324 0.87 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL8326101 0.85 PLA2G1B (0.75) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7012857 0.85 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL5892140 0.84 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL29711234 0.84 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7012847 0.82 PLA2G1B (1.00) PLA2G1B
SCHEMBL7050026 0.81 PLA2G1B (0.69) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149000-A1 Method for the treatment of disorders associated with apoptosis using N-heterocyclic glyoxylamide compounds SHIONOGI & CO., LTD. 2003-08-07 US claimed
EP-1157704-A1 REMEDIES OR PREVENTIVES FOR ISCHEMIC REFLOW FAILURE SHIONOGI & CO., LTD. (JP) 2001-11-28 EP claimed
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 claimed
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 claimed
US-7098237-B1 Remedies for ischemia reperfusion injury SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
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
EP-1157704-A1 REMEDIES OR PREVENTIVES FOR ISCHEMIC REFLOW FAILURE SHIONOGI & CO., LTD. (JP) 2001-11-28 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP 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 2849/4885PLA2G2A 3271/4885PLA2G2E 3111/4885

“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.