SCHEMBL494055

SCHEMBL494055

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.38
BDKRB1 P46663 2/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
FPR2 P25090 5/20 0.34
PROKR1 Q8TCW9 5/20 0.34
TP53 P04637 2/20 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
SCHEMBL493258 0.94 EPHX2 (0.44) EPHX2GAAHTTFPR2PROKR1
SCHEMBL493683 0.94 EPHX2 (0.39) EPHX2BDKRB1GAAHTTKMT2A
SCHEMBL493742 0.93 KMT2A (0.40) EPHX2BDKRB1KMT2AMEN1
SCHEMBL494263 0.92 EPHX2 (0.46) EPHX2GAAFPR2PROKR1
SCHEMBL492466 0.88 EPHX2 (0.37) EPHX2BDKRB1KMT2AMEN1
SCHEMBL493594 0.88 EPHX2 (0.43) EPHX2KMT2AMEN1
SCHEMBL493146 0.88 EPHX2 (0.48) EPHX2GAAKMT2AMEN1FPR2
SCHEMBL492606 0.87 EPHX2 (0.41) EPHX2KMT2A
SCHEMBL493124 0.87 MEN1 (0.41) GAAHTTKMT2AMEN1
SCHEMBL493421 0.87 EPHX2 (0.46) EPHX2GAAHTT

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 6 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
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 2567/4885BDKRB1 1622/4885GAA 445/4885

“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.