SCHEMBL493596

SCHEMBL493596

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccccc4)N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.35
HPGD P15428 1/20 0.34
PTGIR P43119 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL493327 0.96 EPHX2 (0.39) EPHX2FAAHACHECCR5POLB
SCHEMBL492583 0.94 EPHX2 (0.40) EPHX2FAAHACHECCR5POLB
SCHEMBL492660 0.91 POLB (0.37) EPHX2FAAHACHECCR5POLB
SCHEMBL494103 0.90 EPHX2 (0.40) EPHX2CCR5POLBMEN1KMT2A
SCHEMBL492770 0.89 FAAH (0.41) EPHX2FAAHACHEPOLBBCHE
SCHEMBL493814 0.88 PTGIR (0.41) EPHX2FAAHACHECCR5POLB
SCHEMBL492702 0.88 EPHX2 (0.41) EPHX2FAAHACHECCR5BCHE
SCHEMBL493126 0.86 ALDH1A1 (0.39) EPHX2CCR5POLBMEN1KMT2A
SCHEMBL492870 0.86 FAAH (0.38) EPHX2FAAHACHEBCHEMEN1
SCHEMBL492760 0.85 POLB (0.41) EPHX2FAAHACHEPOLBBCHE

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD EPHX2 2567/4885FAAH 6/4885ACHE 52/4885

“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.