SCHEMBL7616468

SCHEMBL7616468

CCC(c1cccnc1)P(=O)(O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GGH Q92820 2/20 0.49
TBXAS1 P24557 9/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
EPHX2 P34913 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 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
SCHEMBL7613317 0.87 GGH (0.50) GGHTBXAS1GRM8GRM4NAALAD2
SCHEMBL5054260 0.87 GGH (0.60) GGHNAALAD2
SCHEMBL5054774 0.81 ITGB3 (0.45) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5059825 0.81 KCNN4 (0.44) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5051209 0.80 TBXAS1 (0.43) GGHTBXAS1GRM8GRM4KCNN4
SCHEMBL5057812 0.80 GGH (0.58) GGHNAALAD2
SCHEMBL5053015 0.80 GRM8 (0.46) TBXAS1GRM8GRM4NAALAD2
SCHEMBL5057897 0.79 TBXAS1 (0.44) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5053014 0.77 GGH (0.52) GGHNAALAD2
SCHEMBL7605221 0.77 GGH (0.73) GGHTBXAS1GRM8GRM4NAALAD2

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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US 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 54/4885TBXAS1 2983/4885GRM8 3437/4885

“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.