SCHEMBL13410068

SCHEMBL13410068

NNC(=O)Cc1ccc(CN2C(=O)C=CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.60
▸ FAAH O00519 2/20 0.60
▸ PTGS1 P23219 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ AOC2 O75106 3/20 0.51
▸ AOC3 Q16853 8/20 0.50
▸ GSK3A P49840 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MMP13 P45452 1/20 0.39

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
SCHEMBL6749977 0.80 AOC2 (0.59) MGLLFAAHAOC2AOC3
SCHEMBL11796135 0.80 AOC2 (0.66) AOC2AOC3CYP1A2CYP3A4CYP2C9
SCHEMBL146412 0.78 MGLL (1.00) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL965837 0.74 LMNA (0.59) AOC2
SCHEMBL8738193 0.72 GSK3A (0.46) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL2492150 0.72 CA2 (0.59) AOC2AOC3CYP1A2CYP3A4CYP2C9
SCHEMBL15704375 0.72 MGLL (0.78) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL5752289 0.72 AOC2 (0.58) AOC2AOC3CYP1A2CYP3A4CYP2C9
SCHEMBL4804503 0.72 MGLL (0.78) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL27633225 0.72 AOC2 (0.58) AOC2AOC3CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130183270-A1 Orally Bioavailable Lipid-Based Constructs SDG, INC. (US) 2013-07-18 — — US disclosed
US-20100080773-A1 Orally Bioavailable Lipid-Based Constructs SDG, INC. 2010-04-01 — — 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-20100080773-A1 Orally Bioavailable Lipid-Based Constructs FABP2, FABP1, LIPC MGLL 1067/4885FAAH 1337/4885PTGS1 1127/4885
US-20130183270-A1 Orally Bioavailable Lipid-Based Constructs FABP2, FABP1, LIPC MGLL 1067/4885FAAH 1337/4885PTGS1 1127/4885

“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.

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