SCHEMBL3931709

SCHEMBL3931709

CCCCCCCCc1ccc(OCC(O)Cn2ccc3ccc(C(=O)OC(C)(C)C)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 16/20 0.56
S1PR1 P21453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PLA2G4B P0C869 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
SCHEMBL3919691 0.93 PLA2G4A (0.56) PLA2G4AS1PR1SMN1; SMN2PLA2G4B
SCHEMBL3927644 0.85 PLA2G4A (0.55) PLA2G4ASMN1; SMN2PLA2G4B
SCHEMBL3922467 0.84 PLA2G4A (0.78) PLA2G4A
SCHEMBL3931705 0.83 PLA2G4A (0.58) PLA2G4AS1PR1SMN1; SMN2
SCHEMBL3926819 0.83 PLA2G4A (0.57) PLA2G4AS1PR1
SCHEMBL3920399 0.82 PLA2G4A (0.58) PLA2G4AS1PR1
SCHEMBL3920460 0.81 PLA2G4A (0.59) PLA2G4AS1PR1
SCHEMBL3923455 0.81 S1PR1 (0.44) PLA2G4AS1PR1SMN1; SMN2
SCHEMBL3919685 0.80 PLA2G4A (0.71) PLA2G4AS1PR1SMN1; SMN2PLA2G4B
SCHEMBL3930415 0.80 PLA2G4A (0.52) PLA2G4AS1PR1SMN1; SMN2PLA2G4B

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 3 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

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 3/4885S1PR1 1120/4885SMN1; SMN2 4624/4885

“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.