SCHEMBL5584601

SCHEMBL5584601

COc1ccc(-c2cc(C(=O)O)c(=O)n(CCCc3ccc(Cl)cc3)n2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.50
PDE4A P27815 6/20 0.50
PDE4C Q08493 6/20 0.50
PDE4D Q08499 6/20 0.50
TP53 P04637 3/20 0.45
MDM2 Q00987 3/20 0.45
CTRC Q99895 1/20 0.39
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
P2RX3 P56373 1/20 0.38
PTGDR Q13258 1/20 0.37
DHODH Q02127 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL1925273 0.93 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1925813 0.90 TP53 (0.48) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL5584394 0.87 CNR2 (0.43) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL5584201 0.86 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL5584577 0.86 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL5584702 0.84 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1926154 0.84 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1925297 0.83 TP53 (0.50) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1926887 0.82 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1924784 0.81 MEN1 (0.46) PDE4BPDE4APDE4CPDE4DTP53

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 PDE4B 2058/4885PDE4A 1624/4885PDE4C 3148/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 3545/4885PDE4A 2886/4885PDE4C 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.