SCHEMBL493589

SCHEMBL493589

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(c4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
EPHX2 P34913 1/20 0.36
BDKRB1 P46663 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 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
SCHEMBL492772 0.96 MEN1 (0.40) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL493126 0.94 ALDH1A1 (0.39) MEN1KMT2AEPHX2BDKRB1ALDH1A1
SCHEMBL494207 0.92 BDKRB1 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL494103 0.91 EPHX2 (0.40) MEN1KMT2AEPHX2BDKRB1ALDH1A1
SCHEMBL492660 0.90 POLB (0.37) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL493388 0.90 MEN1 (0.38) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL493190 0.89 POLB (0.38) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL493289 0.88 BDKRB1 (0.40) MEN1KMT2AEPHX2BDKRB1LMNA
SCHEMBL492683 0.86 MEN1 (0.41) MEN1KMT2AATMCYP3A4CYP2C19
SCHEMBL492583 0.86 EPHX2 (0.40) MEN1KMT2AEPHX2ALDH1A1LMNA

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 1749/4885ATM 1904/4885

“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.