SCHEMBL7053867

SCHEMBL7053867

O=C(O)CCC(C(=O)O)C(CNc1cccc([N+](=O)[O-])c1)[PH](=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
DDX3X O00571 1/20 0.42
HTT P42858 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL5053173 0.87 MAPT (0.42) L3MBTL1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL5057825 0.83 CYP3A4 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7050812 0.83 AKR1C3 (0.45) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5052977 0.83 GAA (0.41) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL5057849 0.82 FOLH1 (0.45) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5133548 0.82 MAPT (0.39) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL5054382 0.82 ADRB2 (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7047224 0.80 FFAR1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL5054341 0.80 MTNR1B (0.44) MEN1KMT2AGAANPC1RAB9A
SCHEMBL5054407 0.80 FFAR1 (0.38) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP claimed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002509934-A 2002-04-02 JP claimed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP claimed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 US claimed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO claimed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP disclosed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO 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 L3MBTL1 3883/4885ALDH1A1 736/4885SMN1; SMN2 3612/4885

“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.