SCHEMBL493388

SCHEMBL493388

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 1/20 0.36
BDKRB1 P46663 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL493405 0.94 ALDH1A1 (0.38) MEN1KMT2AEPHX2BDKRB1ALDH1A1
SCHEMBL492788 0.92 CACNA2D1 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493993 0.91 PTGIR (0.39) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL493589 0.90 MEN1 (0.39) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL492984 0.89 POLB (0.38) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL493699 0.88 ATM (0.37) MEN1KMT2AATMCYP3A4CYP2C19
SCHEMBL493749 0.88 MEN1 (0.39) MEN1KMT2AATMCYP3A4CYP2C19
SCHEMBL492772 0.87 MEN1 (0.40) MEN1KMT2AATMEPHX2BDKRB1
SCHEMBL493818 0.86 ATM (0.38) MEN1KMT2AATMCYP3A4CYP2C19
SCHEMBL493814 0.85 PTGIR (0.41) EPHX2

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.