SCHEMBL7051914

SCHEMBL7051914

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.60
NAALAD2 Q9Y3Q0 2/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
KEAP1 Q14145 1/20 0.48
CYP1A2 P05177 1/20 0.47
ACE P12821 2/20 0.47
SLC15A1 P46059 1/20 0.46
CPA1 P15085 2/20 0.46
FOLH1 Q04609 2/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
FFAR1 O14842 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LTA4H P09960 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
SCHEMBL7050280 0.86 CPA3 (0.44) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL7050122 0.81 CPA3 (0.57) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL7642964 0.76 CPA3 (0.55) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL3963424 0.75 CPA3 (1.00) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL29088272 0.75 CPA3 (1.00) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL10710074 0.74 CPA3 (0.67) CPA3NAALAD2KEAP1CYP1A2ACE
SCHEMBL7606567 0.74 CPA3 (0.71) CPA3NAALAD2CYP1A2ACECPA1
SCHEMBL7047209 0.74 CPA3 (0.53) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL5217064 0.74 CYP2D6 (0.57) CPA3NAALAD2CYP1A2
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 0.73 SLC1A3 (0.73) CPA3NAALAD2SLC1A3SLC1A2SLC1A1

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 193/4885NAALAD2 1/4885SLC1A3 2231/4885

“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.