SCHEMBL4058459

SCHEMBL4058459

O=C(O)CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=Nc1cc(-c2ccccc2)n[nH]1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.36
CASP3 P42574 5/20 0.36
MME P08473 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CASP7 P55210 2/20 0.33
CASP8 Q14790 2/20 0.33
CTSA P10619 2/20 0.33

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
SCHEMBL4067192 0.90 ADORA3 (0.39) CASP1CASP3MMEADORA3ADORA2A
SCHEMBL4058454 0.78 MMP9 (0.42) CASP1CASP3MMEADORA3ADORA2A
SCHEMBL4064462 0.70 ADORA3 (0.40) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL4056317 0.69 PSEN1 (0.44) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL4062416 0.67 PSEN1 (0.46) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL4056892 0.66 PSEN1 (0.41) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL4055360 0.63 MAPK8 (0.39) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL8313476 0.60 PSEN1 (0.42)
SCHEMBL8320833 0.60 PSEN1 (0.42)
SCHEMBL4058155 0.60 ADORA3 (0.45) MMEADORA3ADORA2AADORA2BADORA1

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-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 CASP1 389/4885CASP3 759/4885MME 1913/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 CASP1 2795/4885CASP3 3350/4885MME 662/4885

“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.