SCHEMBL492772

SCHEMBL492772

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BDKRB1 P46663 1/20 0.37
MCHR1 Q99705 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL493589 0.96 MEN1 (0.39) MEN1KMT2AEPHX2ATMSMN1; SMN2
SCHEMBL494103 0.93 EPHX2 (0.40) MEN1KMT2AEPHX2SMN1; SMN2BDKRB1
SCHEMBL493289 0.92 BDKRB1 (0.40) MEN1KMT2AEPHX2BDKRB1MCHR1
SCHEMBL492583 0.90 EPHX2 (0.40) MEN1KMT2AEPHX2SMN1; SMN2KDM4E
SCHEMBL493126 0.90 ALDH1A1 (0.39) MEN1KMT2AEPHX2SMN1; SMN2BDKRB1
SCHEMBL494280 0.89 MEN1 (0.38) MEN1KMT2AEPHX2ATMSMN1; SMN2
SCHEMBL494207 0.88 BDKRB1 (0.39) EPHX2BDKRB1MCHR1SIGMAR1KDM4E
SCHEMBL493328 0.87 BDKRB1 (0.41) MEN1KMT2AEPHX2BDKRB1MCHR1
SCHEMBL493388 0.87 MEN1 (0.38) MEN1KMT2AEPHX2ATMSMN1; SMN2
SCHEMBL492660 0.86 POLB (0.37) MEN1KMT2AEPHX2SMN1; SMN2KDM4E

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 MEN1 4132/4885KMT2A 1749/4885EPHX2 2567/4885

“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.