SCHEMBL785397

SCHEMBL785397

COC(=O)c1ccc2c(c1)C(NS(=O)(=O)CC(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 1/20 0.38
ACHE P22303 3/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL785398 1.00 KCNA5 (0.42) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL785774 0.89 CYP1A2 (0.41) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL784694 0.89 CYP1A2 (0.41) KCNA5PDE4APDE4BPDE4CPDE4D
SCHEMBL785601 0.83 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL785602 0.83 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL878686 0.82 ACHE (0.47) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL803158 0.80 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2820245 0.80 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL803556 0.80 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2819092 0.80 TAS1R3 (0.42) KCNA5PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KCNA5 125/4885PDE4A 944/4885PDE4B 939/4885

“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.