SCHEMBL4064892

SCHEMBL4064892

CCCC(NC(=O)Cc1cccc(OC)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.54
USP2 O75604 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
NTSR1 P30989 1/20 0.51
GPR132 Q9UNW8 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL6136375 0.89 USP2 (0.56) CTBP2USP2POLBALDH1A1RAB9A
SCHEMBL3902883 0.88 MME (0.56) POLBALDH1A1GPR132
SCHEMBL2822918 0.85 CTSD (0.50) POLBGPR132
SCHEMBL9829863 0.85 HTT (0.58) CTBP2TAS1R3TAS1R1POLBALDH1A1
SCHEMBL9829858 0.85 HTT (0.58) CTBP2TAS1R3TAS1R1POLBALDH1A1
SCHEMBL16114852 0.84 POLB (0.69) POLBALDH1A1MEN1KMT2A
SCHEMBL16115188 0.84 POLB (0.69) POLBALDH1A1MEN1KMT2A
SCHEMBL4057391 0.83 POLB (0.52) POLBGPR132KMT2A
SCHEMBL4060569 0.83 POLB (0.52) CTBP2POLBALDH1A1GPR132MEN1
SCHEMBL26596779 0.82 USP2 (0.57) CTBP2USP2POLBALDH1A1RAB9A

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 CTBP2 3705/4885USP2 4326/4885TAS1R3 375/4885
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 CTBP2 2637/4885USP2 2554/4885TAS1R3 695/4885

“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.