SCHEMBL492854

SCHEMBL492854

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
BDKRB1 P46663 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL493849 0.93 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL493179 0.93 CYP3A4 (0.44) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL493349 0.92 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL493345 0.92 KMT2A (0.39) ALDH1A1KMT2AMEN1BDKRB1L3MBTL1
SCHEMBL493527 0.90 KMT2A (0.43) ALDH1A1KMT2AMEN1BDKRB1
SCHEMBL492862 0.89 KMT2A (0.42) ALDH1A1KMT2AMEN1BDKRB1GAA
SCHEMBL493206 0.88 KMT2A (0.37) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL493053 0.88 KMT2A (0.37) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL493119 0.88 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL492944 0.86 BDKRB1 (0.42) BDKRB1

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1349/4885KMT2A 1749/4885MEN1 4132/4885

“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.