SCHEMBL492548

SCHEMBL492548

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.37
NR2F2 P24468 1/20 0.37
GAA P10253 3/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL493849 0.93 ALDH1A1 (0.41) ALDH1A1PKMRAB9ANR2F2GAA
SCHEMBL493179 0.92 CYP3A4 (0.44) ALDH1A1PKMGAAUSP2KMT2A
SCHEMBL492551 0.92 USP2 (0.43) ALDH1A1GAAUSP2KMT2AL3MBTL1
SCHEMBL493519 0.91 LMNA (0.40) ALDH1A1PKMGAAKMT2AHTT
SCHEMBL493165 0.90 SMN1; SMN2 (0.41) ALDH1A1PKMGAASMN1; SMN2LMNA
SCHEMBL493177 0.88 ALDH1A1 (0.38) ALDH1A1PKMGAAKMT2AL3MBTL1
SCHEMBL492871 0.88 ALDH1A1 (0.38) ALDH1A1PKMKMT2AHTTSMN1; SMN2
SCHEMBL493376 0.88 ALDH1A1 (0.38) ALDH1A1PKMKMT2AHTTSMN1; SMN2
SCHEMBL492721 0.87 CXCR3 (0.43) ALDH1A1PKMKMT2AHTTMEN1
SCHEMBL493122 0.86 AVPR1A (0.40)

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 ALDH1A1 1349/4885PKM 1161/4885RAB9A 2004/4885

“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.