SCHEMBL493527

SCHEMBL493527

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.39
MAPK1 P28482 1/20 0.39
BDKRB1 P46663 2/20 0.39
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL493345 0.95 KMT2A (0.39) KMT2ABDKRB1ALDH1A1LMNAMEN1
SCHEMBL493590 0.92 BDKRB1 (0.42) KMT2ABDKRB1ALDH1A1HTR2AMEN1
SCHEMBL493385 0.92 SMN1; SMN2 (0.43) KMT2AMAPK1BDKRB1MMP3ALDH1A1
SCHEMBL492862 0.92 KMT2A (0.42) KMT2ATAS2R14MAPK1BDKRB1ALDH1A1
SCHEMBL493379 0.92 KMT2A (0.44) KMT2ATAS2R14MAPK1ALDH1A1HTR2A
SCHEMBL493206 0.92 KMT2A (0.37) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL493053 0.92 KMT2A (0.37) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL493303 0.91 ALDH1A1 (0.39) KMT2ATAS2R14MAPK1BDKRB1MMP3
SCHEMBL492854 0.90 ALDH1A1 (0.41) KMT2ABDKRB1ALDH1A1MEN1
SCHEMBL492599 0.89 BDKRB1 (0.52) 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 KMT2A 1749/4885TAS2R14 1127/4885MAPK1 3395/4885

“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.