SCHEMBL493400

SCHEMBL493400

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NCC3CCC(C(c4cccs4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 6/20 0.40
PKM P14618 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTR6 P50406 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
BDKRB1 P46663 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
SCHEMBL493374 0.95 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492979 0.91 EPHX2 (0.41) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492708 0.91 EPHX2 (0.42) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL492174 0.89 EPHX2 (0.44) EPHX2ALDH1A1HTR6MEN1KMT2A
SCHEMBL492812 0.88 EPHX2 (0.39) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493070 0.87 EPHX2 (0.41) EPHX2ALDH1A1PKMAPOBEC3AAPOBEC3G
SCHEMBL493129 0.86 EPHX2 (0.50) EPHX2HTR6MEN1KMT2A
SCHEMBL494144 0.86 EPHX2 (0.43) EPHX2PKMHTR6MEN1KMT2A
SCHEMBL492502 0.86 BDKRB1 (0.39) ALDH1A1MEN1KMT2AKDM4EBDKRB1
SCHEMBL493082 0.86 EPHX2 (0.42) EPHX2HTR6MEN1KMT2ABDKRB1

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 7 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
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.