SCHEMBL7044396

SCHEMBL7044396

CCOc1nn(-c2cccc(OC(F)(F)F)c2)c(=O)o1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.71
BCHE P06276 1/20 0.67
LIPC P11150 1/20 0.67
ACHE P22303 1/20 0.67
LIPE Q05469 1/20 0.67
ABHD16A O95870 2/20 0.45
SLC5A1 P13866 1/20 0.43
FAAH O00519 1/20 0.43
PDE10A Q9Y233 1/20 0.41
PIM1 P11309 1/20 0.41
S1PR1 P21453 1/20 0.40
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 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
SCHEMBL2702338 0.88 MGLL (0.55) MGLLBCHELIPCACHELIPE
SCHEMBL7044272 0.86 MGLL (0.69) MGLLBCHELIPCACHELIPE
SCHEMBL7044818 0.86 MGLL (0.55) MGLLBCHELIPCACHELIPE
SCHEMBL7044274 0.84 MGLL (0.53) MGLLBCHELIPCACHELIPE
SCHEMBL7046440 0.84 MGLL (0.65) MGLLBCHELIPCACHELIPE
SCHEMBL6552675 0.83 MGLL (1.00) MGLLBCHELIPCACHELIPE
SCHEMBL6552559 0.80 BCHE (1.00) MGLLBCHELIPCACHELIPE
SCHEMBL2233786 0.79 MGLL (0.76) MGLLBCHELIPCACHELIPE
SCHEMBL7042333 0.78 MGLL (0.67) MGLLBCHELIPCACHELIPE
SCHEMBL7043025 0.77 ABHD16A (0.47) MGLLBCHELIPCACHELIPE

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-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-6596742-B1 Inhibitory effect on the hormone-sensitive lipase, HSL. insecticides, controlling metabolism and multistage synthesis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-22 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-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE MGLL 10/4885BCHE 626/4885LIPC 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.