SCHEMBL494084

SCHEMBL494084

Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(CCc4ccccc4)N(C)C)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.41
TGM2 P21980 2/20 0.40
MAPT P10636 2/20 0.40
F13A1 P00488 1/20 0.40
TGM1 P22735 1/20 0.40
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
FKBP1A P62942 2/20 0.39
PLA2G1B P04054 1/20 0.39
PKM P14618 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FAAH O00519 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL493508 0.95 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TGM2MAPT
SCHEMBL492759 0.93 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TGM2F13A1
SCHEMBL493232 0.93 KMT2A (0.44) MEN1KMT2AALDH1A1TGM2F13A1
SCHEMBL492637 0.91 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TGM2MAPT
SCHEMBL494162 0.91 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL494143 0.90 EPHX2 (0.47) MEN1KMT2AALDH1A1FAAHBCHE
SCHEMBL492631 0.89 POLB (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL494257 0.87 KMT2A (0.42) MEN1KMT2AALDH1A1TGM2MAPT
SCHEMBL492987 0.86 KMT2A (0.42) MEN1KMT2AGAAFAAHBCHE
SCHEMBL492863 0.86 FAAH (0.41) MEN1KMT2AALDH1A1POLBFAAH

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 1749/4885ALDH1A1 1349/4885

“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.