SCHEMBL3929900

SCHEMBL3929900

CCCCCCCCCCOc1ccc(OCC(=O)Cn2c(C(C)(C)C)cc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 11/20 0.66
PLA2G4B P0C869 7/20 0.58
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2803691 0.93 PLA2G4A (0.68) PLA2G4A
SCHEMBL3922464 0.85 PLA2G4A (0.68) PLA2G4A
SCHEMBL3927639 0.83 PLA2G4B (0.60) PLA2G4APLA2G4BTP53TSHR
SCHEMBL3927580 0.80 PLA2G4A (1.00) PLA2G4APLA2G4B
SCHEMBL3922402 0.80 PLA2G4A (0.72) PLA2G4A
SCHEMBL27650181 0.79 PLA2G4A (0.70) PLA2G4A
SCHEMBL3919688 0.76 PLA2G4A (0.52) PLA2G4APLA2G4B
SCHEMBL3688521 0.76 PLA2G4B (1.00) PLA2G4APLA2G4BTP53TSHR
SCHEMBL4490212 0.73 PLA2G4A (0.68) PLA2G4A
SCHEMBL3929904 0.73 PLA2G4A (0.79) PLA2G4APLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed
EP-1590324-B1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2009-03-11 EP disclosed
US-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 MERCKLE GMBH (DE) 2006-06-29 US disclosed
EP-1590324-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2005-11-02 EP disclosed
WO-2004069797-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A2 MERCKLE GMBH (DE) 2004-08-19 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-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 PLD2, PLA2G1B, PLA2G4A PLA2G4A 3/4885PLA2G4B 4/4885TP53 3043/4885

“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.