SCHEMBL494144

SCHEMBL494144

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
KMT2A Q03164 3/20 0.39
KCNH2 Q12809 3/20 0.37
HTR6 P50406 1/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.35
HTR4 Q13639 1/20 0.35
BDKRB1 P46663 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 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
SCHEMBL492853 0.94 EPHX2 (0.43) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL493129 0.93 EPHX2 (0.50) EPHX2KMT2AHTR6MEN1
SCHEMBL492174 0.93 EPHX2 (0.44) EPHX2KMT2AHTR6MEN1MAPT
SCHEMBL493082 0.93 EPHX2 (0.42) EPHX2KMT2AHTR6MEN1BDKRB1
SCHEMBL492716 0.92 EPHX2 (0.41) EPHX2KMT2AKCNH2HTR6HTR4
SCHEMBL493469 0.91 EPHX2 (0.42) EPHX2KMT2AHTR6MEN1PKM
SCHEMBL493245 0.90 EPHX2 (0.43) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL493512 0.88 EPHX2 (0.40) EPHX2KMT2AKCNH2HTR6HTR4
SCHEMBL492724 0.88 EPHX2 (0.40) EPHX2KMT2AKCNH2HTR6MEN1
SCHEMBL493636 0.88 EPHX2 (0.50) EPHX2KMT2AMEN1HTR4BDKRB1

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 EPHX2 2567/4885KMT2A 1749/4885KCNH2 1663/4885

“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.