SCHEMBL492556

SCHEMBL492556

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCCC2CCC(C(c3cccs3)N(C)C)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL492833 0.93 KMT2A (0.39) L3MBTL1NCOA1NCOA3LMNAMEN1
SCHEMBL492726 0.91 ALDH1A1 (0.46) L3MBTL1NCOA1NCOA3RAB9ALMNA
SCHEMBL493071 0.89 ALDH1A1 (0.40) L3MBTL1LMNAMEN1MAPTKMT2A
SCHEMBL492764 0.89 ALDH1A1 (0.46) RAB9ALMNAMEN1MAPTKMT2A
SCHEMBL492942 0.89 L3MBTL1 (0.41) L3MBTL1NCOA1NCOA3RAB9AALDH1A1
SCHEMBL492624 0.87 NPC1 (0.44) L3MBTL1NCOA1NCOA3RAB9ALMNA
SCHEMBL493137 0.87 PAX8 (0.39) NCOA1NCOA3KMT2AHDAC3HDAC4
SCHEMBL493198 0.86 FKBP1A (0.41) NCOA1NCOA3RAB9AKMT2AHDAC3
SCHEMBL493094 0.85 ALDH1A1 (0.47) L3MBTL1NCOA1NCOA3RAB9ALMNA
SCHEMBL492697 0.85 ALDH1A1 (0.47) RAB9ALMNAMEN1MAPTKMT2A

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 L3MBTL1 4753/4885NCOA1 71/4885NCOA3 122/4885

“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.