SCHEMBL493374

SCHEMBL493374

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 5/20 0.40
PKM P14618 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BDKRB1 P46663 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
AVPR1B P47901 3/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 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
SCHEMBL493400 0.95 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493070 0.92 EPHX2 (0.41) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492979 0.91 EPHX2 (0.41) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493201 0.90 EPHX2 (0.39) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493080 0.88 BDKRB1 (0.42) BDKRB1AVPR1BKDM4E
SCHEMBL493545 0.87 EPHX2 (0.36) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492853 0.86 EPHX2 (0.43) EPHX2ALDH1A1PKMMEN1KMT2A
SCHEMBL493636 0.86 EPHX2 (0.50) EPHX2MEN1KMT2ABDKRB1
SCHEMBL494077 0.86 EPHX2 (0.42) EPHX2PKMMEN1KMT2ABDKRB1
SCHEMBL492786 0.86 BDKRB1 (0.34) EPHX2ALDH1A1PKMMEN1KMT2A

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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.