Toluene

Toluene

SCHEMBL6380394

CC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O.Cc1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 2/20 0.60
FOLH1 Q04609 4/20 0.54
NAALAD2 Q9Y3Q0 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
SCHEMBL5053371 0.87 GRM3 (0.79) GRM3FOLH1NAALAD2
Toluene SCHEMBL6381375 0.82 FOLH1 (0.49) GRM3FOLH1NAALAD2
SCHEMBL6380391 0.80 FOLH1 (0.66) GRM3FOLH1
SCHEMBL8469613 0.80 FOLH1 (0.66) GRM3FOLH1
SCHEMBL5051119 0.78 GRM3 (0.59) GRM3FOLH1
SCHEMBL5052894 0.78 CPA3 (0.71) GRM3FOLH1
SCHEMBL12145183 0.78 GRM3 (0.68) GRM3FOLH1
SCHEMBL4135913 0.78 GRM3 (1.00) GRM3FOLH1NAALAD2
SCHEMBL5054385 0.77 FOLH1 (0.55) GRM3FOLH1
SCHEMBL8468631 0.77 GRM3 (0.66) GRM3FOLH1NAALAD2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093453-B1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARM INC (US) 2005-09-28 EP disclosed
EP-1571141-A2 Naaladase inhibitors useful as pharmaceutical compounds and compositions GUILFORD PHARMACEUTICALS INC. (US) 2005-09-07 EP disclosed
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions JACKSON PAUL F (US) 2003-05-01 US disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-01-16 US disclosed
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US disclosed
EP-1202717-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2002-05-08 EP disclosed
US-6376478-B1 N-ACETYLATED (ALPHA)-LINKED ACIDIC DIPEPTIDASE INHIBITOR; BLOCKS RELEASE OF GLUTAMTE PRE-SYNAPTICALLY FOR REDUCED TOXICITY GUILFORD PHARMACEUTICALS INC. 2002-04-23 US disclosed
US-6228888-B1 Methods for treating anxiety, anxiety disorders and memory impairment using naaladase inhibitors GUILFORD PHARMACEUTICALS INC. 2001-05-08 US disclosed
EP-1093453-A1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2001-04-25 EP disclosed
WO-2001001974-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2001-01-11 WO disclosed
US-6071965-A TO INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY AND TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-06-06 US disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 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 (3 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 GRM3 3659/4885FOLH1 56/4885NAALAD2 1/4885
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors GRIN1, GRIN2A, GRIN2B GRM3 47/4885FOLH1 224/4885NAALAD2 12/4885
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions NAALAD2, DNPEP, NAAA GRM3 305/4885FOLH1 22/4885NAALAD2 1/4885

“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.