SCHEMBL493653

SCHEMBL493653

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCCCC4)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
BDKRB1 P46663 1/20 0.36
MAPT P10636 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
SCHEMBL492628 0.96 EPHX2 (0.39) POLBTDP1SIGMAR1ALDH1A1LMNA
SCHEMBL493190 0.94 POLB (0.38) POLBSIGMAR1ALDH1A1EPHX2MEN1
SCHEMBL493156 0.90 POLB (0.39) POLBTDP1SIGMAR1ALDH1A1LMNA
SCHEMBL492760 0.90 POLB (0.41) POLBALDH1A1GAAEPHX2TSHR
SCHEMBL494280 0.90 MEN1 (0.38) POLBSIGMAR1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL493126 0.88 ALDH1A1 (0.39) POLBTDP1SIGMAR1ALDH1A1LMNA
SCHEMBL493237 0.86 ALDH1A1 (0.39) POLBTDP1SIGMAR1ALDH1A1LMNA
SCHEMBL492770 0.86 FAAH (0.41) POLBALDH1A1EPHX2SMN1; SMN2MEN1
SCHEMBL493125 0.85 POLB (0.39) POLBALDH1A1LMNAEPHX2SMN1; SMN2
SCHEMBL493290 0.84 SIGMAR1 (0.36) POLBSIGMAR1RAB9A

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 2120/4885TDP1 3893/4885SIGMAR1 84/4885

“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.