SCHEMBL494077

SCHEMBL494077

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NCCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.42
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
HTR6 P50406 1/20 0.35
BDKRB1 P46663 1/20 0.34
AVPR1B P47901 3/20 0.33
PKM P14618 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
SCHEMBL493082 0.95 EPHX2 (0.42) EPHX2KMT2AMEN1HTR6BDKRB1
SCHEMBL493838 0.94 EPHX2 (0.39) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL492853 0.93 EPHX2 (0.43) EPHX2KMT2AMEN1HTR6BDKRB1
SCHEMBL493990 0.92 EPHX2 (0.40) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493330 0.91 EPHX2 (0.41) EPHX2KMT2AMEN1HTR6BDKRB1
SCHEMBL493547 0.90 EPHX2 (0.38) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493636 0.89 EPHX2 (0.50) EPHX2KMT2AMEN1BDKRB1
SCHEMBL493671 0.88 BDKRB1 (0.41) BDKRB1AVPR1B
SCHEMBL494144 0.87 EPHX2 (0.43) EPHX2KMT2AMEN1HTR6BDKRB1
SCHEMBL493386 0.87 EPHX2 (0.36) EPHX2KMT2AMEN1HTR6AVPR1B

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 2567/4885KMT2A 1749/4885MEN1 4132/4885

“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.