SCHEMBL7642964

SCHEMBL7642964

O=C(O)CCC(C(=O)O)C(Cc1ccccc1)[PH](=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.55
NAALAD2 Q9Y3Q0 3/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
KEAP1 Q14145 1/20 0.44
CYP1A2 P05177 1/20 0.43
SLC15A1 P46059 1/20 0.43
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
FFAR1 O14842 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 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
SCHEMBL7653675 0.89 CPA3 (0.47) CPA3NAALAD2SLC1A3SLC1A2SLC1A1
SCHEMBL7650843 0.87 FOLH1 (0.44) CPA3NAALAD2CPA1FFAR1
SCHEMBL7644621 0.87 FFAR1 (0.42) CPA3NAALAD2FFAR1
SCHEMBL7036604 0.87 KEAP1 (0.47) CPA3NAALAD2KEAP1FFAR1
SCHEMBL8057699 0.84 LDHA (0.52) FFAR1
SCHEMBL8048450 0.83 AKR1B1 (0.42) CPA3NAALAD2CYP1A2
SCHEMBL29728626 0.83 MAPT (0.50) CPA3KEAP1FFAR1
SCHEMBL7648592 0.82 ALDH1A1 (0.42) CPA3NAALAD2KEAP1CYP1A2
SCHEMBL5051313 0.82 FOLH1 (0.45) CPA3NAALAD2FFAR1
SCHEMBL20508880 0.81 PTPRA (0.50) CPA3CYP1A2

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
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 CPA3 286/4885NAALAD2 1/4885SLC1A3 1829/4885

“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.