SCHEMBL492702

SCHEMBL492702

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.36
PTGIR P43119 1/20 0.36
CCR5 P51681 2/20 0.35
CHRM5 P08912 1/20 0.35
BDKRB1 P46663 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA5 P08648 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGB5 P18084 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL493296 0.93 EPHX2 (0.48) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL493320 0.93 KMT2A (0.40) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL493683 0.93 EPHX2 (0.39) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL494220 0.92 EPHX2 (0.36) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL492268 0.91 EPHX2 (0.41) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL493328 0.90 BDKRB1 (0.41) EPHX2KMT2AMEN1CCR5CHRM5
SCHEMBL493143 0.89 ALDH1A1 (0.42) EPHX2FAAHACHEBDKRB1MAPT
SCHEMBL493596 0.88 EPHX2 (0.41) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL492863 0.88 FAAH (0.41) EPHX2KMT2AMEN1FAAHACHE
SCHEMBL492583 0.88 EPHX2 (0.40) EPHX2KMT2AMEN1FAAHACHE

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 2567/4885KMT2A 1749/4885MEN1 4132/4885

“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.