SCHEMBL493742

SCHEMBL493742

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
BDKRB1 P46663 4/20 0.36
EPHX2 P34913 4/20 0.35
PKM P14618 2/20 0.34
MEN1 O00255 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL492606 0.94 EPHX2 (0.41) KMT2AEPHX2
SCHEMBL493320 0.94 KMT2A (0.40) KMT2ABDKRB1EPHX2PKMMEN1
SCHEMBL494055 0.93 EPHX2 (0.38) KMT2ABDKRB1EPHX2MEN1
SCHEMBL492466 0.92 EPHX2 (0.37) KMT2ABDKRB1EPHX2PKMMEN1
SCHEMBL493627 0.92 EPHX2 (0.39) KMT2AEPHX2PKMMEN1GPR119
SCHEMBL492916 0.89 BDKRB1 (0.40) KMT2ABDKRB1EPHX2PKMMEN1
SCHEMBL493876 0.88 KMT2A (0.44) KMT2APKMMEN1GPR119
SCHEMBL492839 0.88 EPHX2 (0.37) KMT2AEPHX2MEN1
SCHEMBL493648 0.88 EPHX2 (0.42) KMT2AEPHX2PKMMEN1GPR119
SCHEMBL493258 0.87 EPHX2 (0.44) EPHX2

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 KMT2A 1749/4885BDKRB1 1622/4885EPHX2 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.