SCHEMBL5584492

SCHEMBL5584492

COc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CCCc3ccccc3Cl)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
NPBWR1 P48145 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 5/20 0.35
SYK P43405 1/20 0.35
PTGS1 P23219 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5584252 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5584440 0.88 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5584246 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DNPBWR1
SCHEMBL5584623 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DNPBWR1
SCHEMBL1925431 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5584782 0.82 MEN1 (0.37) MEN1KMT2APTGS2BRD4USP2
SCHEMBL5584457 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DNPBWR1
SCHEMBL5584201 0.82 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DNPBWR1
SCHEMBL1925291 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5584875 0.81 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DMEN1

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-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 PDE4A 1624/4885PDE4B 2058/4885PDE4C 3148/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4A 2886/4885PDE4B 3545/4885PDE4C 4186/4885

“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.