SCHEMBL492791

SCHEMBL492791

COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NCCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
MMP8 P22894 6/20 0.39
MMP3 P08254 3/20 0.39
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
BDKRB1 P46663 1/20 0.36
PTGIR P43119 1/20 0.36
NPC1 O15118 1/20 0.35
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
SCHEMBL493329 0.93 MAPT (0.42) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL493212 0.89 TAS2R14 (0.40) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL492792 0.88 TAS2R14 (0.44) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL492787 0.88 ALDH1A1 (0.43) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL493123 0.87 NPC1 (0.43) NPC1RAB9A
SCHEMBL493267 0.87 MAPT (0.43) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL493191 0.86 NPC1 (0.46) MMP3MMP1MMP13NPC1RAB9A
SCHEMBL493006 0.83 TAS2R14 (0.46) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL493371 0.82 MAPT (0.44) SMN1; SMN2MAPTTAS2R14MMP8MMP3
SCHEMBL493204 0.82 TAS2R14 (0.41) SMN1; SMN2MAPTTAS2R14MMP8MMP3

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 SMN1; SMN2 1729/4885MAPT 1653/4885TAS2R14 1127/4885

“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.