SCHEMBL493328

SCHEMBL493328

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
EPHX2 P34913 5/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MCHR1 Q99705 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CHRM5 P08912 1/20 0.36
EBP Q15125 1/20 0.35
DHCR7 Q9UBM7 1/20 0.35
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 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
SCHEMBL492906 0.93 EPHX2 (0.47) EPHX2KMT2AMEN1EBPDHCR7
SCHEMBL492916 0.93 BDKRB1 (0.40) BDKRB1EPHX2KMT2AMEN1PKM
SCHEMBL493194 0.92 BDKRB1 (0.39) BDKRB1EPHX2KMT2AMEN1PKM
SCHEMBL492702 0.90 EPHX2 (0.41) BDKRB1EPHX2KMT2AMEN1CHRM5
SCHEMBL493557 0.88 ALDH1A1 (0.41) BDKRB1EPHX2KMT2AMEN1SIGMAR1
SCHEMBL494103 0.88 EPHX2 (0.40) BDKRB1EPHX2KMT2AMEN1MCHR1
SCHEMBL492772 0.87 MEN1 (0.40) BDKRB1EPHX2KMT2AMEN1MCHR1
SCHEMBL493289 0.87 BDKRB1 (0.40) BDKRB1EPHX2KMT2AMEN1MCHR1
SCHEMBL492633 0.86 KMT2A (0.45) EPHX2KMT2AMEN1PKMTSHR
SCHEMBL493757 0.86 KMT2A (0.39) EPHX2KMT2AMEN1PKMALDH1A1

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 BDKRB1 1622/4885EPHX2 2567/4885KMT2A 1749/4885

“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.