SCHEMBL7054224

SCHEMBL7054224

O=C(O)CCC(OC(S)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.55
ACE P12821 1/20 0.49
SRR Q9GZT4 2/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
PPARG P37231 9/20 0.46
PPARA Q07869 8/20 0.46
KEAP1 Q14145 1/20 0.44
FOLH1 Q04609 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7051603 0.87 CPA3 (0.41) CPA3ACESRRNAALAD2FOLH1
SCHEMBL7048114 0.75 FOLH1 (0.47) FOLH1CYP1A2
SCHEMBL7051632 0.75 MME (0.40) CPA3NAALAD2FOLH1CYP1A2
SCHEMBL28898686 0.74 EPHX1 (0.48) CPA3SRRFOLH1CYP1A2
SCHEMBL7055630 0.74 FOLH1 (0.45) FOLH1CYP1A2
SCHEMBL7047111 0.74 NAALAD2 (0.39) CPA3NAALAD2PPARGPPARAFOLH1
SCHEMBL6495924 0.73 CPA3 (0.65) CPA3SRRNAALAD2KEAP1CYP1A2
SCHEMBL6495926 0.73 CPA3 (0.65) CPA3SRRNAALAD2KEAP1CYP1A2
SCHEMBL6502909 0.73 CPA3 (0.65) CPA3SRRNAALAD2KEAP1CYP1A2
SCHEMBL7051914 0.73 CPA3 (0.60) CPA3ACENAALAD2KEAP1FOLH1

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 4 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 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 193/4885ACE 100/4885SRR 1279/4885

“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.