SCHEMBL803223

SCHEMBL803223

COC(=O)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
KCNA5 P22460 8/20 0.51
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
CHEK2 O96017 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL803521 0.89 CYP1A2 (0.54) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL785324 0.87 CYP1A2 (0.58) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL803269 0.87 CYP1A2 (0.58) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2819943 0.83 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2819940 0.83 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL803192 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL13131208 0.80 KCNA5 (0.47) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL15226408 0.80 KCNA5 (0.47) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816825 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816824 0.79 PDE4A (0.45) 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 5 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 PDE4A 944/4885PDE4B 939/4885PDE4C 997/4885

“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.