Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476175

SCHEMBL4476175

SCHEMBL4476175

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(CC(=O)N4CCCCC4)s3)C2)cc1O[C@@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.42
▸ PDE4B Q07343 10/20 0.41
▸ PDE4C Q08493 6/20 0.41
▸ PDE4D Q08499 6/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4463376 0.99 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4468329 0.95 GAA (0.43) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL4463212 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3547091 0.89 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL3551646 0.88 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4471363 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL3546085 0.86 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL4474092 0.85 PTPRE (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4468653 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4460875 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 — — US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 — — US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 — — US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 — — 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-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 8/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.