SCHEMBL493337

SCHEMBL493337

Cc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCCC3CCC(C(c4cccs4)N(C)C)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 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
SCHEMBL492307 0.94 ALDH1A1 (0.41) EPHX2GAAALDH1A1PKMMAPT
SCHEMBL492562 0.93 EPHX2 (0.41) EPHX2GAAALDH1A1PKMMAPT
SCHEMBL493201 0.91 EPHX2 (0.39) EPHX2ALDH1A1PKM
SCHEMBL493136 0.90 ALDH1A1 (0.43) GAAALDH1A1PKMMAPT
SCHEMBL492404 0.88 EPHX2 (0.40) EPHX2GAAALDH1A1PKM
SCHEMBL493143 0.88 ALDH1A1 (0.42) EPHX2GAAALDH1A1PKMMAPT
SCHEMBL493545 0.87 EPHX2 (0.36) EPHX2ALDH1A1PKMMAPT
SCHEMBL493171 0.86 ALDH1A1 (0.43) GAAALDH1A1PKMMAPT
SCHEMBL493176 0.86 ALDH1A1 (0.43) GAAALDH1A1PKMMAPT
SCHEMBL493070 0.86 EPHX2 (0.41) EPHX2ALDH1A1PKM

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 2567/4885GAA 445/4885ALDH1A1 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.