SCHEMBL493883

SCHEMBL493883

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.46
PTGIR P43119 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
CAMK2A Q9UQM7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
BMP1 P13497 1/20 0.39
CAMK2G Q13555 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL493165 0.92 SMN1; SMN2 (0.41) CXCR3MMP2MMP9ALDH1A1LMNA
SCHEMBL493379 0.92 KMT2A (0.44) CXCR3MMP2MMP9ALDH1A1LMNA
SCHEMBL492806 0.92 PTGIR (0.41) CXCR3PTGIRALDH1A1LMNAHTT
SCHEMBL492544 0.91 PTGIR (0.41) CXCR3PTGIRKDM4EALDH1A1LMNA
SCHEMBL492721 0.91 CXCR3 (0.43) CXCR3PTGIRFAAHACHEALDH1A1
SCHEMBL492885 0.91 ALDH1A1 (0.40) CXCR3PTGIRMMP2MMP9KDM4E
SCHEMBL492782 0.91 CXCR3 (0.47) CXCR3PTGIRKDM4EALDH1A1LMNA
SCHEMBL492551 0.90 USP2 (0.43) PTGIRALDH1A1HTTGAAMEN1
SCHEMBL492817 0.88 CAMK2A (0.40) MMP2MMP9CAMK2AKDM4EALDH1A1
SCHEMBL492295 0.88 BDKRB1 (0.51)

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 4458/4885PTGIR 121/4885MMP2 2205/4885

“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.