SCHEMBL492628

SCHEMBL492628

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCCCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
SIGMAR1 Q99720 2/20 0.37
POLB P06746 3/20 0.37
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
BDKRB1 P46663 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL493653 0.96 POLB (0.40) EPHX2SIGMAR1POLBEBPDHCR7
SCHEMBL494280 0.93 MEN1 (0.38) EPHX2SIGMAR1POLBEBPDHCR7
SCHEMBL493190 0.90 POLB (0.38) EPHX2SIGMAR1POLBEBPDHCR7
SCHEMBL492770 0.90 FAAH (0.41) EPHX2POLBEBPDHCR7ALDH1A1
SCHEMBL494103 0.88 EPHX2 (0.40) EPHX2SIGMAR1POLBEBPDHCR7
SCHEMBL493156 0.88 POLB (0.39) EPHX2SIGMAR1POLBBDKRB1ALDH1A1
SCHEMBL493490 0.86 ALDH1A1 (0.38) SIGMAR1POLBALDH1A1MAPTTDP1
SCHEMBL492760 0.86 POLB (0.41) EPHX2POLBALDH1A1GAATSHR
SCHEMBL493126 0.84 ALDH1A1 (0.39) EPHX2SIGMAR1POLBBDKRB1ALDH1A1
SCHEMBL492808 0.84 FAAH (0.39) EPHX2POLBALDH1A1LMNATSHR

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 EPHX2 2567/4885SIGMAR1 84/4885POLB 2120/4885

“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.