SCHEMBL7040752

SCHEMBL7040752

COc1nn(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)c(OCc3ccccc3)c2)c(=O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.57
FAAH O00519 3/20 0.57
LIPC P11150 2/20 0.51
LIPE Q05469 2/20 0.51
LPL P06858 1/20 0.51
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
BRD4 O60885 2/20 0.42
ABHD6 Q9BV23 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7047574 0.84 FAAH (0.49) MGLLFAAHLIPCLIPELPL
SCHEMBL7042468 0.82 LPL (0.60) MGLLFAAHLIPCLIPELPL
SCHEMBL7046269 0.75 LPL (0.71) MGLLFAAHLIPCLIPELPL
SCHEMBL7046290 0.74 ABHD16A (0.59) MGLLFAAHLIPCLIPELPL
SCHEMBL7043147 0.74 MGLL (0.81) MGLLFAAHLIPCLIPELPL
SCHEMBL7042914 0.73 MGLL (1.00) MGLLFAAHLIPCLIPELPL
SCHEMBL6604889 0.72 LPL (0.72) MGLLFAAHLIPCLIPELPL
SCHEMBL7044238 0.71 BCHE (0.81) MGLLFAAHLIPCLIPEBCHE
Trifluoroacetic Acid SCHEMBL6601669 0.69 MGLL (0.52) MGLLFAAHLIPCLIPELPL
SCHEMBL7047919 0.69 LPL (1.00) MGLLFAAHLIPCLIPELPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 US claimed
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 US disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 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 (2 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-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals CNR1, PTGER1, CNR2 MGLL 1542/4885FAAH 46/4885LIPC 554/4885
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE MGLL 10/4885FAAH 142/4885LIPC 7/4885

“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.