SCHEMBL493111

SCHEMBL493111

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRL1 P41146 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FKBP1A P62942 1/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KCNQ1 P51787 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL493505 0.93 LMNA (0.42) MEN1KMT2ATSHRLMNANPSR1
SCHEMBL492880 0.93 KMT2A (0.41) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL493234 0.91 LMNA (0.37) TSHRLMNANPSR1NPC1FKBP1A
SCHEMBL492696 0.91 NPC1 (0.44) KMT2ATSHRLMNANPSR1OPRL1
SCHEMBL492855 0.90 NPC1 (0.39) TSHRLMNANPSR1NPC1FKBP1A
SCHEMBL493368 0.89 HCRTR1 (0.41) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL493035 0.88 FKBP1A (0.42) MEN1KMT2ATSHRLMNANPSR1
SCHEMBL492935 0.84 NPC1 (0.46) KMT2ATSHRLMNANPSR1NPC1
SCHEMBL493307 0.83 LMNA (0.42) MEN1KMT2ATSHRLMNANPSR1
SCHEMBL493197 0.83 RAB9A (0.39) NPC1RAB9A

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 MEN1 4132/4885KMT2A 1749/4885TSHR 4051/4885

“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.