SCHEMBL493327

SCHEMBL493327

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4ccccc4)N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
CCR5 P51681 1/20 0.37
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MCHR1 Q99705 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
SCHEMBL493596 0.96 EPHX2 (0.41) EPHX2FAAHACHECCR5POLB
SCHEMBL492660 0.94 POLB (0.37) EPHX2FAAHACHECCR5POLB
SCHEMBL493814 0.91 PTGIR (0.41) EPHX2FAAHACHECCR5POLB
SCHEMBL492583 0.90 EPHX2 (0.40) EPHX2FAAHACHECCR5POLB
SCHEMBL493126 0.90 ALDH1A1 (0.39) EPHX2CCR5POLBMEN1KMT2A
SCHEMBL492760 0.89 POLB (0.41) EPHX2FAAHACHEPOLBTHRB
SCHEMBL494103 0.86 EPHX2 (0.40) EPHX2CCR5POLBMEN1KMT2A
SCHEMBL493203 0.86 FAAH (0.37) EPHX2FAAHACHETHRBBCHE
SCHEMBL493993 0.85 PTGIR (0.39) EPHX2FAAHACHECCR5POLB
SCHEMBL492770 0.85 FAAH (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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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.