SCHEMBL493549

SCHEMBL493549

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.49
MMP2 P08253 2/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MMP3 P08254 2/20 0.43
BMP1 P13497 2/20 0.43
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PTGIR P43119 1/20 0.40
MAPT P10636 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL493602 0.92 MAPT (0.43) CXCR3ALDH1A1TP53LMNAHTT
SCHEMBL492804 0.92 HTT (0.41) CXCR3MMP2MMP9ALDH1A1LMNA
SCHEMBL492852 0.92 CXCR3 (0.46) CXCR3ALDH1A1FAAHACHELMNA
SCHEMBL493075 0.91 CXCR3 (0.51) CXCR3MMP2MMP9ALDH1A1FAAH
SCHEMBL493295 0.90 PDE4D (0.42) CXCR3ALDH1A1TP53PDE4APDE4B
SCHEMBL494402 0.89 BDKRB1 (0.48)
SCHEMBL493883 0.86 CXCR3 (0.46) CXCR3MMP2MMP9ALDH1A1BMP1
SCHEMBL493019 0.86 CXCR3 (0.46) CXCR3BMP1LMNATAS2R14MEN1
SCHEMBL493317 0.85 BDKRB1 (0.40) CXCR3ALDH1A1FAAHACHELMNA
SCHEMBL493643 0.84 NPSR1 (0.42) CXCR3ALDH1A1LMNAHTTPTGIR

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 CXCR3 4458/4885MMP2 2205/4885MMP9 3297/4885

“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.