SCHEMBL492583

SCHEMBL492583

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
P2RX7 Q99572 1/20 0.35
BCHE P06276 1/20 0.34
CCR5 P51681 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
SCHEMBL492660 0.96 POLB (0.37) EPHX2LMNAPOLBALDH1A1HPGD
SCHEMBL493596 0.94 EPHX2 (0.41) EPHX2POLBHPGDFAAHACHE
SCHEMBL492772 0.90 MEN1 (0.40) EPHX2ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL493327 0.90 EPHX2 (0.39) EPHX2LMNAPOLBFAAHACHE
SCHEMBL492808 0.89 FAAH (0.39) EPHX2LMNAPOLBALDH1A1HPGD
SCHEMBL493993 0.88 PTGIR (0.39) EPHX2LMNAPOLBALDH1A1HPGD
SCHEMBL492702 0.88 EPHX2 (0.41) EPHX2SMN1; SMN2FAAHACHEMAPT
SCHEMBL493584 0.86 LMNA (0.38) EPHX2LMNAPOLBALDH1A1HPGD
SCHEMBL493589 0.86 MEN1 (0.39) EPHX2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL493125 0.85 POLB (0.39) EPHX2LMNAPOLBALDH1A1HPGD

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 2567/4885LMNA 2485/4885POLB 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.