SCHEMBL492631

SCHEMBL492631

COc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(CCc4ccccc4)N(C)C)CC3)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL493508 0.90 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL494084 0.89 MEN1 (0.46) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL492759 0.88 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL493232 0.88 KMT2A (0.44) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL492571 0.88 HDAC3 (0.44) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL492734 0.87 EPHX2 (0.40) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL492637 0.87 ALDH1A1 (0.45) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL492987 0.86 KMT2A (0.42) KMT2AMEN1L3MBTL1GAA
SCHEMBL494162 0.86 ALDH1A1 (0.42) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL492863 0.86 FAAH (0.41) POLBKMT2AMEN1ALDH1A1SMN1; SMN2

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 POLB 2120/4885KMT2A 1749/4885MEN1 4132/4885

“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.