SCHEMBL492671

SCHEMBL492671

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4cccs4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
AVPR1A P37288 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AVPR1B P47901 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL492812 0.96 EPHX2 (0.39) EPHX2HTR6ALDH1A1PKMAVPR1A
SCHEMBL493545 0.94 EPHX2 (0.36) EPHX2HTR6ALDH1A1PKMAVPR1A
SCHEMBL492708 0.92 EPHX2 (0.42) EPHX2HTR6ALDH1A1PKMMEN1
SCHEMBL492701 0.91 EPHX2 (0.36) EPHX2HTR6ALDH1A1PKMAVPR1A
SCHEMBL493201 0.90 EPHX2 (0.39) EPHX2HTR6ALDH1A1PKMAVPR1A
SCHEMBL493218 0.89 HTR6 (0.39) EPHX2HTR6AVPR1ALMNAMEN1
SCHEMBL493143 0.87 ALDH1A1 (0.42) EPHX2ALDH1A1PKMLMNAMAPT
SCHEMBL492790 0.87 EPHX2 (0.38) EPHX2HTR6ALDH1A1LMNASMN1; SMN2
SCHEMBL492889 0.87 EPHX2 (0.44) EPHX2HTR6ALDH1A1AVPR1ALMNA
SCHEMBL492672 0.87 EPHX2 (0.39) EPHX2HTR6ALDH1A1PKMAVPR1A

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 2567/4885HTR6 2114/4885ALDH1A1 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.