SCHEMBL4710132

SCHEMBL4710132

CCn1nc(-c2ccc([S+](C)[O-])cc2)c(C(C)=O)c(N(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
KDM5B Q9UGL1 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27550834 0.87 PDE4B (0.44) PDE4BSMN1; SMN2ALDH1A1HPGDPDE4A
SCHEMBL4708373 0.84 PDE4B (0.63) PDE4BSMN1; SMN2ALDH1A1HPGDPDE4A
SCHEMBL3036725 0.81 TBXAS1 (0.47) PDE4BSMN1; SMN2ALDH1A1HPGDPDE4A
SCHEMBL3022797 0.76 PDE4B (0.51) PDE4BSMN1; SMN2ALDH1A1HPGDPDE4A
SCHEMBL4707180 0.76 KDR (0.48) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL3022210 0.73 SLC2A1 (0.41) PDE4BSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL4708899 0.72 PDE4B (0.52) PDE4BALDH1A1LMNA
SCHEMBL4708723 0.71 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL4706539 0.70 PDE4B (0.55) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL4709062 0.70 PDE4B (0.52) PDE4BSMN1; SMN2PDE4APDE4CPDE4D

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-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US claimed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US claimed
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885SMN1; SMN2 2927/4885ALDH1A1 525/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885SMN1; SMN2 2927/4885ALDH1A1 525/4885

“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.