Sugi Predict

Sugi Predict / Compounds / SCHEMBL1249839

SCHEMBL1249839

SCHEMBL1249839

COc1cccc(-c2n[nH]c(=O)c3c2N(OS(C)(=O)=O)CCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ TNKS O95271 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
SCHEMBL1249990 0.85 PARP1 (0.41) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL1250090 0.85 NOTUM (0.37) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL1252260 0.83 PARP1 (0.40) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL1251498 0.82 PARP1 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1249951 0.81 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL1252377 0.81 PARP1 (0.39) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL1252655 0.80 PARP1 (0.52) HPGDTNKSPARP1
SCHEMBL1251616 0.79 ROCK2 (0.38) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL1251282 0.79 PDE4A (0.37) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL1252649 0.77 PARP1 (0.40) PDE4APDE4BPDE4CPDE4DROCK2

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
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP disclosed
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 — — US disclosed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 — — US disclosed
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 — — US disclosed
EP-1477175-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-17 — — EP 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-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient MUSK, RNASE1, DPYD GAA 648/4885PDE4A 3604/4885PDE4B 3815/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD GAA 651/4885PDE4A 3567/4885PDE4B 3796/4885

“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.

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