SCHEMBL7606708

SCHEMBL7606708

O=C(O)CCC(NP(=O)(O)Cc1ccncc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGH Q92820 2/20 0.53
NAALAD2 Q9Y3Q0 5/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 3/20 0.38
RIMKLA Q8IXN7 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL1374225 0.87 GGH (0.65) GGHNAALAD2FOLH1
SCHEMBL1374224 0.87 GGH (0.65) GGHNAALAD2FOLH1
SCHEMBL7608802 0.85 GGH (0.52) GGHNAALAD2KDM4E
SCHEMBL5051218 0.84 GGH (0.53) GGHFOLH1
SCHEMBL5052861 0.84 GGH (0.54) GGHNAALAD2FOLH1RIMKLA
SCHEMBL5053041 0.81 GPR132 (0.48) ALDH1A1
SCHEMBL7606155 0.81 GGH (0.76) GGHNAALAD2KDM4EHPGDFOLH1
SCHEMBL7608262 0.81 GGH (0.50) GGHFOLH1CA2
SCHEMBL5060126 0.80 GGH (0.55) GGHNAALAD2FOLH1
SCHEMBL7608624 0.79 GGH (0.51) GGHNAALAD2FOLH1RIMKLACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US claimed
JP-2002514157-A 2002-05-14 JP claimed
EP-0957924-A4 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2000-04-12 EP claimed
EP-0957924-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP claimed
WO-1997048399-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6479471-B1 NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY TO TREAT PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. 2002-11-12 US disclosed
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US disclosed
US-6372726-B1 ADMINISTERING CARBOXYALKYL PHOSPHONATE, PHOSPHORAMIDATE, OR PHOSPHINE OXIDE DERIVATIVE AS ANTITUMOR AGENT TO TREAT CANCER OF PROSTATE GLAND GUILFORD PHARMACEUTICALS INC. 2002-04-16 US disclosed
US-6025344-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 US disclosed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 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 GGH 54/4885NAALAD2 1/4885KDM4E 1114/4885

“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.