SCHEMBL3923455

SCHEMBL3923455

CCCCCCCCc1ccc(OCC(O)Cn2ccc3c(C(=O)OC(C)(C)C)cccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G4A P47712 10/20 0.40
KMT2A Q03164 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL3924250 0.89 CNR2 (0.46) S1PR1PLA2G4A
SCHEMBL3922098 0.84 PLA2G4A (0.56) PLA2G4A
SCHEMBL3925406 0.82 S1PR1 (0.48) S1PR1SMN1; SMN2NPC1RAB9APLA2G4A
SCHEMBL3931709 0.81 PLA2G4A (0.56) S1PR1SMN1; SMN2PLA2G4A
SCHEMBL3919691 0.81 PLA2G4A (0.56) S1PR1SMN1; SMN2PLA2G4A
SCHEMBL3920399 0.78 PLA2G4A (0.58) S1PR1PLA2G4A
SCHEMBL3926819 0.78 PLA2G4A (0.57) S1PR1PLA2G4A
SCHEMBL3933438 0.77 S1PR1 (0.51) S1PR1SMN1; SMN2PLA2G4AKMT2A
SCHEMBL3921588 0.77 CNR2 (0.43) SMN1; SMN2PLA2G4AKMT2A
SCHEMBL3929497 0.77 PLA2G4A (0.55) S1PR1SMN1; SMN2RAB9APLA2G4A

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 S1PR1 1120/4885SMN1; SMN2 4624/4885NPC1 2242/4885

“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.