SCHEMBL2818930

SCHEMBL2818930

COC(=O)c1ccc2c(c1)C(NS(=O)(=O)c1ccc(OC)cc1C(F)(F)F)CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
KCNA5 P22460 3/20 0.46
CNR2 P34972 5/20 0.43
MTNR1A P48039 6/20 0.42
NQO2 P16083 5/20 0.42
MTNR1B P49286 5/20 0.42
CNR1 P21554 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL2818931 1.00 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2820454 0.93 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2815786 0.87 RBP4 (0.46) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2815784 0.87 RBP4 (0.46) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2818455 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2818453 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL15226599 0.79 RBP4 (0.43) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL13131209 0.79 RBP4 (0.43) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL484664 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816573 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN PDE4A 1509/4885PDE4B 1892/4885PDE4C 2205/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PDE4A 1509/4885PDE4B 1892/4885PDE4C 2205/4885

“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.