SCHEMBL492790

SCHEMBL492790

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 3/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
HTR6 P50406 1/20 0.37
KMT2A Q03164 4/20 0.36
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 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
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 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) EPHX2KCNH2TP53GAAHTR6
SCHEMBL492839 0.93 EPHX2 (0.37) EPHX2KCNH2TP53GAAHTR6
SCHEMBL492889 0.93 EPHX2 (0.44) EPHX2GAAHTR6KMT2ASMN1; SMN2
SCHEMBL493218 0.93 HTR6 (0.39) EPHX2HTR6KMT2AMEN1POLB
SCHEMBL492861 0.93 HTR6 (0.37) EPHX2KCNH2TP53GAAHTR6
SCHEMBL493245 0.92 EPHX2 (0.43) EPHX2KCNH2HTR6KMT2AMCHR1
SCHEMBL493278 0.91 SMN1; SMN2 (0.38) EPHX2TP53GAAHTR6KMT2A
SCHEMBL493627 0.89 EPHX2 (0.39) EPHX2KCNH2TP53GAAHTR6
SCHEMBL493706 0.89 EPHX2 (0.47) EPHX2HTR6
SCHEMBL492268 0.89 EPHX2 (0.41) EPHX2HTR6KMT2AMEN1

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 2567/4885KCNH2 1663/4885TP53 4136/4885

“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.