SCHEMBL4059202

SCHEMBL4059202

CSCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 2/20 0.45
ALDH1A1 P00352 1/20 0.44
S1PR1 P21453 4/20 0.42
ANPEP P15144 1/20 0.41
PARP1 P09874 1/20 0.40
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
PSMB5 P28074 2/20 0.39
PSMB1 P20618 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB2 P49721 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 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
SCHEMBL4063405 0.88 MME (0.45) S1PR1PARP1PSMB5PSMB1PSMB8
SCHEMBL4063019 0.86 PSMB5 (0.49) PARP1PSMB5PSMB1PSMB8PSMB9
SCHEMBL4060827 0.82 ANPEP (0.44) ALDH1A1ANPEPLTA4HADORA3ADORA2A
SCHEMBL4054478 0.78 ELOVL1 (0.46) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL4058024 0.77 CSNK1D (0.44) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4054931 0.76 ADORA1 (0.40) CYP3A4PRKACAROCK1ADORA3ADORA2A
SCHEMBL4060451 0.76 ADORA3 (0.48) ALDH1A1POLBADORA3ADORA2AADORA2B
SCHEMBL4056926 0.76 ADORA3 (0.43) FNTAFNTBPGGT1BANPEPADORA3
SCHEMBL4056892 0.75 PSEN1 (0.41) ALDH1A1ANPEPLTA4HADORA3ADORA2A
SCHEMBL4062589 0.75 CACNA1G (0.44) ADORA3ADORA2AADORA2BADORA1

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 11 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
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO 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
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO 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 FNTA 2777/4885FNTB 2812/4885PGGT1B 3569/4885
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 FNTA 3383/4885FNTB 2677/4885PGGT1B 2370/4885

“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.