Toluene

Toluene

SCHEMBL4057403

CCCC(NS(C)(=O)=O)C(=O)O.Cc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.44
MMP2 P08253 9/20 0.44
MMP8 P22894 5/20 0.44
MMP12 P39900 4/20 0.44
MMP14 P50281 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MMP13 P45452 2/20 0.43
ADAMTS4 O75173 1/20 0.43
GAA P10253 1/20 0.42
MME P08473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP3 P08254 1/20 0.41
ITGAV P06756 3/20 0.41
ITGB3 P05106 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
Benzene SCHEMBL4058883 0.89 MMP9 (0.42) MMP9MMP2MMP8MMP12MMP14
SCHEMBL7416795 0.85 HDAC1 (0.43) MMP9MMP2MMP8MMP12MMP14
SCHEMBL7416802 0.85 HDAC1 (0.43) MMP9MMP2MMP8MMP12MMP14
Hydrochloric Acid SCHEMBL32662559 0.84 HDAC1 (0.41) MMP9MMP2MMP8MMP12MMP14
Benzene SCHEMBL1329535 0.78 MME (0.52) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8153603 0.78 MME (0.52) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5875648 0.78 SMN1; SMN2 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5189435 0.78 SMN1; SMN2 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL4057398 0.77 TDP1 (0.46) MMP9MMP2L3MBTL1MMP13MMP3
Benzene SCHEMBL6818055 0.76 NOD1 (0.46) MMP9MMP2MMP8MMP12MMP14

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 MMP9 3369/4885MMP2 3568/4885MMP8 4014/4885
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 MMP9 3378/4885MMP2 4050/4885MMP8 4741/4885

“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.