SCHEMBL493385

SCHEMBL493385

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPK1 P28482 1/20 0.39
BDKRB1 P46663 2/20 0.39
MMP3 P08254 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SLC9A3 P48764 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
LMNA P02545 1/20 0.36
CA2 P00918 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL493432 0.95 ALDH1A1 (0.38) SMN1; SMN2MCOLN3BDKRB1ALDH1A1SLC9A3
SCHEMBL493527 0.92 KMT2A (0.43) MAPK1BDKRB1MMP3ALDH1A1OPRM1
SCHEMBL492990 0.92 UTS2R (0.36) SMN1; SMN2BDKRB1ALDH1A1SLC9A3LMNA
SCHEMBL493165 0.92 SMN1; SMN2 (0.41) SMN1; SMN2MCOLN3CYP3A4CYP2C19ALDH1A1
SCHEMBL493855 0.92 BDKRB1 (0.41) SMN1; SMN2MCOLN3BDKRB1ALDH1A1SLC9A3
SCHEMBL493053 0.92 KMT2A (0.37) SMN1; SMN2ALDH1A1SLC9A3LMNAMAPT
SCHEMBL493206 0.92 KMT2A (0.37) SMN1; SMN2ALDH1A1SLC9A3LMNAMAPT
SCHEMBL493849 0.90 ALDH1A1 (0.41) SMN1; SMN2BDKRB1ALDH1A1LMNAMAPT
SCHEMBL493353 0.89 BDKRB1 (0.52) BDKRB1
SCHEMBL493345 0.87 KMT2A (0.39) SMN1; SMN2BDKRB1ALDH1A1LMNAKMT2A

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 SMN1; SMN2 1729/4885MCOLN3 961/4885MAPK1 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.