SCHEMBL4057398

SCHEMBL4057398

CCCC(NS(=O)(=O)Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ITGB3 P05106 5/20 0.44
ITGAV P06756 1/20 0.44
KMT2A Q03164 3/20 0.43
ITGA2B P08514 4/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TMPRSS2 O15393 1/20 0.42
TMPRSS11D O60235 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40

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
SCHEMBL4058881 0.88 SLC1A3 (0.55) ITGB3ITGAVKMT2AITGA2BSLC1A3
SCHEMBL4062433 0.87 MMP2 (0.44) ITGB3ITGAVKMT2AITGA2BSLC1A3
SCHEMBL4059597 0.87 MMP2 (0.46) ITGB3ITGAVITGA2BSLC1A3SLC1A2
SCHEMBL600046 0.80 ALDH1A1 (0.52) ITGB3ITGAVKMT2AITGA2BSLC1A3
SCHEMBL6818050 0.78 ITGB3 (0.53) ITGB3ITGAVKMT2AITGA2BSLC1A3
SCHEMBL7357439 0.77 SLC1A3 (0.52) ITGB3ITGAVKMT2AITGA2BSLC1A3
Toluene SCHEMBL4057403 0.77 MMP9 (0.44) ITGB3ITGAVCA12CA2CA9
SCHEMBL15745122 0.76 KMT2A (0.47) TDP1KMT2ACA12CA2CA9
SCHEMBL3898276 0.76 SLC1A3 (0.57) ITGB3ITGAVKMT2AITGA2BSLC1A3
SCHEMBL1329533 0.75 SLC1A3 (0.56) ITGB3ITGAVKMT2AITGA2BSLC1A3

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 10 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
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 TDP1 340/4885ITGB3 4692/4885ITGAV 4827/4885
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 TDP1 539/4885ITGB3 4125/4885ITGAV 4820/4885

“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.