SCHEMBL493386

SCHEMBL493386

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
HTR6 P50406 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
AVPR1A P37288 2/20 0.32
AVPR1B P47901 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL493547 0.96 EPHX2 (0.38) EPHX2HTR6MEN1KMT2AAVPR1A
SCHEMBL492861 0.94 HTR6 (0.37) EPHX2HTR6TP53MAPTMEN1
SCHEMBL492839 0.93 EPHX2 (0.37) EPHX2HTR6TP53MAPTMEN1
SCHEMBL493990 0.92 EPHX2 (0.40) EPHX2HTR6MEN1KMT2AAVPR1A
SCHEMBL492899 0.90 EPHX2 (0.39) EPHX2HTR6MEN1KMT2AAVPR1A
SCHEMBL492777 0.90 HTR6 (0.36) EPHX2HTR6TP53MAPTMEN1
SCHEMBL493594 0.89 EPHX2 (0.43) EPHX2HTR6MAPTMEN1KMT2A
SCHEMBL493627 0.89 EPHX2 (0.39) EPHX2HTR6TP53MEN1KMT2A
SCHEMBL492466 0.88 EPHX2 (0.37) EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL494077 0.87 EPHX2 (0.42) EPHX2HTR6MEN1KMT2AAVPR1B

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 2114/4885TP53 4136/4885

“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.