SCHEMBL2806777

SCHEMBL2806777

COC(=O)CCC(=O)c1cn(CC(=O)COc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(C(=O)OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 17/20 0.52
AKR1C3 P42330 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL2807365 0.93 PLA2G4A (0.59) PLA2G4A
SCHEMBL13127472 0.90 PLA2G4A (0.46) PLA2G4AAKR1C3
SCHEMBL2809726 0.85 PLA2G4A (0.61) PLA2G4A
SCHEMBL2805787 0.85 PLA2G4A (0.66) PLA2G4A
SCHEMBL2806998 0.83 AKR1C3 (0.39) PLA2G4AAKR1C3LMNA
SCHEMBL13127471 0.81 PLA2G4A (0.55) PLA2G4A
SCHEMBL2808266 0.80 PLA2G4A (0.59) PLA2G4A
SCHEMBL2835991 0.78 PLA2G4A (0.78) PLA2G4A
SCHEMBL2806139 0.77 PLA2G4A (0.79) PLA2G4A
SCHEMBL3658121 0.75 MEN1 (0.38) AKR1C3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A PLA2G4A 3/4885AKR1C3 853/4885LMNA 2737/4885

“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.