SCHEMBL2807415

SCHEMBL2807415

COC(=O)CCC(=O)c1cn(C)c2ccc(C(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.46
PLA2G4A P47712 5/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2804273 0.94 NR4A2 (0.45) NR4A2PLA2G4ALMNAKMT2AMEN1
SCHEMBL2804408 0.93 PLA2G4A (0.46) NR4A2PLA2G4ALMNAKMT2AMEN1
SCHEMBL6873834 0.81 LMNA (0.47) NR4A2PLA2G4ALMNAKMT2AMEN1
SCHEMBL8529581 0.78 CPT1A (0.49) KDM4ECPT2CPT1ACPT1B
SCHEMBL13132299 0.78 NR4A2 (0.49) NR4A2LMNAKMT2AMEN1KDM4E
SCHEMBL2810904 0.77 NR4A2 (0.54) NR4A2PLA2G4ALMNAKMT2AMEN1
SCHEMBL3931725 0.77 KDM4E (0.50) NR4A2PLA2G4AKMT2AMEN1KDM4E
SCHEMBL8555545 0.72 KDM4E (0.46) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7927961 0.70 KDM4E (0.53) KDM4ECPT2CPT1ACPT1BALDH1A1
SCHEMBL7926742 0.69 KDM4E (0.51) LMNAKMT2AKDM4ECPT2CPT1A

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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 US disclosed
EP-2215059-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms-Universität Münster (DE) 2010-08-11 EP disclosed
WO-2009040314-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms Universität Münster (DE) 2009-04-02 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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A NR4A2 2170/4885PLA2G4A 3/4885LMNA 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.