SCHEMBL7050122

SCHEMBL7050122

O=C(O)CCC(C(=O)O)C(CS)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.57
FOLH1 Q04609 2/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.49
MME P08473 3/20 0.48
ACE P12821 1/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
KEAP1 Q14145 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC15A1 P46059 1/20 0.44
CPA1 P15085 1/20 0.44

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
SCHEMBL7051914 0.81 CPA3 (0.60) CPA3FOLH1NAALAD2MMEACE
SCHEMBL7047209 0.81 CPA3 (0.53) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL7047235 0.80 CPA3 (0.51) CPA3FOLH1NAALAD2ACESLC1A3
SCHEMBL7055620 0.79 CPA3 (0.50) CPA3FOLH1NAALAD2ACESLC1A3
SCHEMBL1122043 0.75 CPA3 (0.49) CPA3FOLH1NAALAD2ACESLC1A3
SCHEMBL7642964 0.74 CPA3 (0.55) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL7708878 0.73 CPA3 (0.59) CPA3NAALAD2KEAP1CYP1A2SLC15A1
SCHEMBL3963424 0.73 CPA3 (1.00) CPA3FOLH1NAALAD2SLC1A3SLC1A2
SCHEMBL29088272 0.73 CPA3 (1.00) CPA3FOLH1NAALAD2SLC1A3SLC1A2
SCHEMBL5057942 0.73 FOLH1 (0.48) FOLH1SLC1A3SLC1A2SLC1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US claimed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 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
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US 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 (1 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 CPA3 193/4885FOLH1 56/4885NAALAD2 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.