SCHEMBL492905

SCHEMBL492905

COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
MMP1 P03956 5/20 0.41
MMP9 P14780 4/20 0.41
MMP13 P45452 4/20 0.41
ADAM17 P78536 2/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGIR P43119 1/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 2/20 0.39
MMP2 P08253 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL493078 0.88 FAAH (0.44) CXCR3MMP1MMP9MMP13FAAH
SCHEMBL493436 0.88 RAB9A (0.45) CXCR3MMP1MMP9MMP13FAAH
SCHEMBL492792 0.88 TAS2R14 (0.44) CXCR3TAS2R14MMP1MMP9MMP13
SCHEMBL493267 0.84 MAPT (0.43) TAS2R14MMP1MMP9MMP13ADAM17
SCHEMBL492439 0.83 ALDH1A1 (0.43) CXCR3TAS2R14MMP1MMP9MMP13
SCHEMBL493665 0.82 RAB9A (0.47) FAAHACHEL3MBTL1MEN1KMT2A
SCHEMBL493204 0.82 TAS2R14 (0.41) TAS2R14MMP1MMP9MMP13ADAM17
SCHEMBL644132 0.81 BDKRB1 (0.46) CXCR3MMP1MMP9FAAHACHE
SCHEMBL493549 0.81 CXCR3 (0.49) CXCR3TAS2R14MMP1MMP9FAAH
SCHEMBL492903 0.79 POLB (0.43) L3MBTL1ALDH1A1POLB

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 4458/4885TAS2R14 1127/4885MMP1 3028/4885

“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.