SCHEMBL493070

SCHEMBL493070

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCCC3CCC(C(c4cccs4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 6/20 0.39
PKM P14618 1/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
AVPR1B P47901 4/20 0.34
HTR6 P50406 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL493201 0.96 EPHX2 (0.39) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492708 0.93 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493545 0.92 EPHX2 (0.36) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493374 0.92 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492812 0.89 EPHX2 (0.39) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493083 0.89 EPHX2 (0.41) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492307 0.88 ALDH1A1 (0.41) EPHX2ALDH1A1PKMMEN1KMT2A
SCHEMBL493400 0.87 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493146 0.86 EPHX2 (0.48) EPHX2MEN1KMT2A
SCHEMBL493648 0.86 EPHX2 (0.42) EPHX2ALDH1A1PKMAVPR1BHTR6

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 2567/4885ALDH1A1 1349/4885PKM 1161/4885

“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.