SCHEMBL493245

SCHEMBL493245

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
KMT2A Q03164 4/20 0.39
KCNH2 Q12809 3/20 0.38
HTR6 P50406 1/20 0.37
HTR4 Q13639 1/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 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
SCHEMBL492724 0.96 EPHX2 (0.40) EPHX2KMT2AKCNH2HTR6HTR4
SCHEMBL493648 0.93 EPHX2 (0.42) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL493728 0.93 EPHX2 (0.49) EPHX2KMT2AHTR6MEN1
SCHEMBL493396 0.93 EPHX2 (0.44) EPHX2KMT2AHTR6MEN1
SCHEMBL493362 0.92 EPHX2 (0.41) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL492790 0.92 EPHX2 (0.38) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL494144 0.90 EPHX2 (0.43) EPHX2KMT2AKCNH2HTR6HTR4
SCHEMBL493556 0.90 EPHX2 (0.42) EPHX2KMT2AHTR6MEN1PKM
SCHEMBL493627 0.89 EPHX2 (0.39) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL493706 0.89 EPHX2 (0.47) EPHX2HTR6

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
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
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 2567/4885KMT2A 1749/4885KCNH2 1663/4885

“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.