SCHEMBL2931748

SCHEMBL2931748

COc1ccc(N(C(=O)c2cccnc2)c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1O[C@@H]1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.43
PIK3CD O00329 6/20 0.43
PIK3CB P42338 6/20 0.43
PIK3CG P48736 6/20 0.43
PIK3R1 P27986 3/20 0.43
MTOR P42345 4/20 0.42
PDE4D Q08499 9/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
POLB P06746 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
SCHEMBL2926103 0.93 PDE4D (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL2924650 0.91 PTGS2 (0.47) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2925618 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2932029 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL6528413 0.87 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL6529696 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL2926125 0.86 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL2927419 0.85 PDE4D (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL2925608 0.82 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL6532108 0.81 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP claimed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US claimed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US claimed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US claimed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US claimed
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP disclosed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US disclosed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US disclosed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
EP-1583828-A1 SECRETED POLYPEPTIDE SPECIES (FRAGMENTS FROM CHITOTRIOSIDASE) REDUCED IN CARDIOVASCULAR DISORDERS GENOVA, LTD. (BM) 2005-10-12 EP disclosed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US disclosed
WO-2004061096-A1 SECRETED POLYPEPTIDE SPECIES (FRAGMENTS FROM CHITOTRIOSIDASE) REDUCED IN CARDIOVASCULAR DISORDERS GENOVA, LTD. (BM) 2004-07-22 WO 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 (3 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-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B PIK3CA 2080/4885PIK3CD 1114/4885PIK3CB 2189/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B PIK3CA 2880/4885PIK3CD 2402/4885PIK3CB 3309/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B PIK3CA 2059/4885PIK3CD 1022/4885PIK3CB 1872/4885

“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.