SCHEMBL8418295

SCHEMBL8418295

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.60
ABHD6 Q9BV23 1/20 0.50
PTGES O14684 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADAM17 P78536 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47

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
SCHEMBL8417363 0.87 HPGD (0.51) AOC3MEN1KMT2AADAM17HPGD
SCHEMBL8218633 0.83 PTGES (0.53) PTGESMEN1KMT2AADAM17
SCHEMBL6412029 0.79 AOC3 (0.70) AOC3ABHD6PTGESMEN1KMT2A
SCHEMBL6865230 0.75 HPGD (0.48) PTGESMEN1KMT2AADAM17HPGD
SCHEMBL17887869 0.75 AOC3 (0.68) AOC3ABHD6
SCHEMBL5374253 0.72 HSD17B1 (0.65) AOC3ABHD6HSD17B1HSD17B2
SCHEMBL6413145 0.72 AOC3 (0.60) AOC3ABHD6PTGESMEN1KMT2A
SCHEMBL8414550 0.72 MGLL (0.54) MEN1KMT2A
SCHEMBL6413143 0.72 AOC3 (0.60) AOC3ABHD6PTGESMEN1KMT2A
SCHEMBL15263998 0.71 ABHD6 (0.69) AOC3ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 AOC3 1746/4885ABHD6 622/4885PTGES 565/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF AOC3 1731/4885ABHD6 1330/4885PTGES 289/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI AOC3 1798/4885ABHD6 832/4885PTGES 578/4885

“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.