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SCHEMBL2818455

SCHEMBL2818455

COC(=O)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(OC)cc1C)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.53
▸ PDE4B Q07343 2/20 0.53
▸ PDE4C Q08493 2/20 0.53
▸ PDE4D Q08499 2/20 0.53
▸ KCNA5 P22460 4/20 0.48
▸ CYP2C9 P11712 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MTNR1A P48039 5/20 0.40
▸ MTNR1B P49286 4/20 0.39
▸ NQO2 P16083 3/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL2818453 1.00 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816573 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL484664 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816825 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2816824 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2818931 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2818930 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL484959 0.82 KCNA5 (0.49) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL2817536 0.82 KCNA5 (0.49) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL484960 0.82 KCNA5 (0.49) 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 9 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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.