SCHEMBL493525

SCHEMBL493525

Cc1ccccc1S(=O)(=O)NCCOCC(=O)NC1CCC(C(c2ccccc2)N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TBXAS1 P24557 2/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL493050 0.90 RAB9A (0.37) POLBRAB9AKMT2ACYP3A4HPGD
SCHEMBL492676 0.85 CNR1 (0.35) RAB9ACYP3A4HPGDCYP2D6SLC6A2
SCHEMBL493375 0.83 OPRL1 (0.36) RAB9AKMT2AMEN1CYP3A4CYP2D6
SCHEMBL492463 0.79 SMN1; SMN2 (0.38) POLBRAB9AKMT2AMEN1ATM
SCHEMBL492939 0.78 PTGIR (0.39) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL493526 0.78 CCR5 (0.43) RAB9ACYP3A4HPGDCYP2C19ALDH1A1
SCHEMBL492741 0.78 AVPR1B (0.37) HPGDALDH1A1
SCHEMBL492965 0.77 L3MBTL1 (0.45) POLBRAB9ACYP3A4HPGDCYP2C19
SCHEMBL3808174 0.76 MAPT (0.35) RAB9AKMT2AMEN1CYP3A4HPGD
SCHEMBL493158 0.76 BDKRB1 (0.52)

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 POLB 2120/4885RAB9A 2004/4885KMT2A 1749/4885

“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.