SCHEMBL492404

SCHEMBL492404

Cc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4cccs4)N(C)C)CC3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.40
GAA P10253 1/20 0.39
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 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
SCHEMBL493557 0.94 ALDH1A1 (0.41) EPHX2GAAALDH1A1PKMPOLB
SCHEMBL492672 0.90 EPHX2 (0.39) EPHX2GAAALDH1A1PKMPOLB
SCHEMBL492562 0.90 EPHX2 (0.41) EPHX2GAAEBPDHCR7ALDH1A1
SCHEMBL493115 0.89 ALDH1A1 (0.43) EPHX2GAAALDH1A1PKM
SCHEMBL493337 0.88 EPHX2 (0.40) EPHX2GAAALDH1A1PKM
SCHEMBL492906 0.88 EPHX2 (0.47) EPHX2EBPDHCR7
SCHEMBL492783 0.88 ALDH1A1 (0.43) EPHX2ALDH1A1PKMPOLBATM
SCHEMBL492701 0.86 EPHX2 (0.36) EPHX2GAAALDH1A1PKMPOLB
SCHEMBL492692 0.86 PKM (0.43) EPHX2ALDH1A1PKMPOLB
SCHEMBL493083 0.85 EPHX2 (0.41) EPHX2GAAALDH1A1PKMPOLB

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 EPHX2 2567/4885GAA 445/4885EBP 293/4885

“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.