SCHEMBL493362

SCHEMBL493362

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
HTR6 P50406 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ROCK2 O75116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
AVPR1B P47901 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCL5 P13501 1/20 0.32
AVPR1A P37288 1/20 0.32
FFAR1 O14842 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
SCHEMBL492899 0.96 EPHX2 (0.39) EPHX2HTR6KMT2AMEN1ROCK2
SCHEMBL493990 0.93 EPHX2 (0.40) EPHX2HTR6KMT2AMEN1SMN1; SMN2
SCHEMBL493245 0.92 EPHX2 (0.43) EPHX2HTR6KMT2AMEN1SMN1; SMN2
SCHEMBL493396 0.92 EPHX2 (0.44) EPHX2HTR6KMT2AMEN1AVPR1B
SCHEMBL492861 0.92 HTR6 (0.37) EPHX2HTR6KMT2AMEN1ROCK2
SCHEMBL493082 0.91 EPHX2 (0.42) EPHX2HTR6KMT2AMEN1ROCK2
SCHEMBL493005 0.90 EPHX2 (0.41) EPHX2HTR6KMT2AMEN1SMN1; SMN2
SCHEMBL493547 0.90 EPHX2 (0.38) EPHX2HTR6KMT2AMEN1AVPR1B
SCHEMBL492724 0.88 EPHX2 (0.40) EPHX2HTR6KMT2AMEN1KCNH2
SCHEMBL492268 0.88 EPHX2 (0.41) EPHX2HTR6KMT2AMEN1AVPR1B

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 2114/4885KMT2A 1749/4885

“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.