SCHEMBL7608038

SCHEMBL7608038

O=C(O)CCC(NP(=O)(O)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.53
ITGB2 P05107 5/20 0.50
ICAM1 P05362 5/20 0.50
ITGAL P20701 5/20 0.50
ACE P12821 3/20 0.50
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ERAP2 Q6P179 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL7608300 0.90 GGH (0.50) GGHITGB2ICAM1ITGALACE
SCHEMBL7610508 0.88 ALDH1A1 (0.48) GGHITGB2ICAM1ITGALACE
SCHEMBL7611405 0.86 GGH (0.48) GGHITGB2ICAM1ITGALACE
SCHEMBL5057944 0.84 KMT2A (0.53) ITGB2ICAM1ITGALACEALOX15
SCHEMBL5060094 0.83 SMN1; SMN2 (0.50) ITGB2ICAM1ITGALACESMN1; SMN2
SCHEMBL7607422 0.82 GGH (0.61) GGHITGB2ICAM1ITGALACE
SCHEMBL5057880 0.82 KMT2A (0.52) ITGB2ICAM1ITGALACEALOX15
SCHEMBL5060065 0.82 KDM4E (0.48) ITGB2ICAM1ITGALACESMN1; SMN2
SCHEMBL5060655 0.82 GGH (0.59) GGHMMP9
SCHEMBL5054823 0.81 ACE (0.58) ITGB2ICAM1ITGALACEALOX15

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 54/4885ITGB2 4128/4885ICAM1 3975/4885

“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.