Sugi Predict

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SCHEMBL6654949

SCHEMBL6654949

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ccc[nH]3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 16/20 0.39
▸ PDE4A P27815 13/20 0.39
▸ PDE4B Q07343 13/20 0.39
▸ PDE4C Q08493 13/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ENPP1 P22413 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL6842605 0.97 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6654188 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6658351 0.91 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6844111 0.91 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6655053 0.90 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6656236 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6842659 0.89 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6657058 0.89 GAA (0.39) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6659590 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CITGB3
SCHEMBL6657161 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 — — US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 — — EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 — — WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 — — EP disclosed
EP-0973774-A1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2000-01-26 — — EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 — — US disclosed
WO-1998040384-A1 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 — — WO disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 — — 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 (1 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4D 12/4885PDE4A 1/4885PDE4B 4/4885

“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.