SCHEMBL494103

SCHEMBL494103

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4ccccc4)N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.40
BDKRB1 P46663 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
MCHR1 Q99705 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CCR5 P51681 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
EBP Q15125 1/20 0.35
DHCR7 Q9UBM7 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
SCHEMBL493126 0.96 ALDH1A1 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493289 0.94 BDKRB1 (0.40) EPHX2BDKRB1LMNAMCHR1KMT2A
SCHEMBL492772 0.93 MEN1 (0.40) EPHX2BDKRB1ALDH1A1MCHR1KMT2A
SCHEMBL494207 0.91 BDKRB1 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493589 0.91 MEN1 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493596 0.90 EPHX2 (0.41) EPHX2MCHR1KMT2AMEN1CCR5
SCHEMBL493328 0.88 BDKRB1 (0.41) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL492628 0.88 EPHX2 (0.39) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493405 0.87 ALDH1A1 (0.38) EPHX2BDKRB1ALDH1A1LMNAGAA
SCHEMBL493327 0.86 EPHX2 (0.39) EPHX2LMNAGAAMCHR1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 2567/4885BDKRB1 1622/4885ALDH1A1 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.