SCHEMBL494280

SCHEMBL494280

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BDKRB1 P46663 1/20 0.35
MMP12 P39900 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL493190 0.96 POLB (0.38) MEN1KMT2AEPHX2ALDH1A1HTT
SCHEMBL492628 0.93 EPHX2 (0.39) MEN1KMT2AEPHX2ALDH1A1SIGMAR1
SCHEMBL492808 0.91 FAAH (0.39) MEN1KMT2AEPHX2ALDH1A1HTT
SCHEMBL493653 0.90 POLB (0.40) MEN1KMT2AEPHX2ALDH1A1ATM
SCHEMBL492772 0.89 MEN1 (0.40) MEN1KMT2AEPHX2ALDH1A1ATM
SCHEMBL492984 0.87 POLB (0.38) MEN1KMT2AEPHX2ALDH1A1HTT
SCHEMBL493539 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1HTTATM
SCHEMBL493125 0.87 POLB (0.39) MEN1KMT2AEPHX2ALDH1A1HTT
SCHEMBL493589 0.85 MEN1 (0.39) MEN1KMT2AEPHX2ALDH1A1ATM
SCHEMBL492770 0.84 FAAH (0.41) MEN1KMT2AEPHX2ALDH1A1EBP

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 1749/4885EPHX2 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.