SCHEMBL492502

SCHEMBL492502

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.39
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL493080 0.93 BDKRB1 (0.42) BDKRB1ALOX5KDM4E
SCHEMBL492843 0.92 KDM4E (0.34) BDKRB1ALOX5KDM4EMEN1NPC1
SCHEMBL493535 0.91 BDKRB1 (0.48) BDKRB1
SCHEMBL492983 0.90 BDKRB1 (0.40) BDKRB1MEN1LMNAKMT2A
SCHEMBL493144 0.88 BDKRB1 (0.40) BDKRB1
SCHEMBL493072 0.86 ALDH1A1 (0.41) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL493400 0.86 EPHX2 (0.42) BDKRB1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL492786 0.86 BDKRB1 (0.34) BDKRB1ALOX5KDM4EMEN1NPC1
SCHEMBL493122 0.86 AVPR1A (0.40) BDKRB1
SCHEMBL492956 0.85 BDKRB1 (0.38) BDKRB1

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 BDKRB1 1622/4885ALOX5 340/4885KDM4E 2178/4885

“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.