SCHEMBL4143572

SCHEMBL4143572

O=C(O)CCC(CP(=O)(O)CC(CS)C(=O)O)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 2/20 0.82
FOLH1 Q04609 8/20 0.66
NAALAD2 Q9Y3Q0 1/20 0.65

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
SCHEMBL4135913 0.91 GRM3 (1.00) GRM3FOLH1NAALAD2
SCHEMBL5060080 0.84 GRM3 (0.85) GRM3FOLH1NAALAD2
SCHEMBL18647063 0.82 GRM3 (0.82) GRM3FOLH1NAALAD2
SCHEMBL5060255 0.82 GRM3 (0.82) GRM3FOLH1NAALAD2
SCHEMBL20529841 0.81 GRM3 (0.81) GRM3FOLH1NAALAD2
SCHEMBL5051325 0.81 GRM3 (0.81) GRM3FOLH1NAALAD2
SCHEMBL5053371 0.81 GRM3 (0.79) GRM3FOLH1NAALAD2
SCHEMBL1278279 0.80 FOLH1 (1.00) GRM3FOLH1NAALAD2
SCHEMBL1377500 0.80 GRM3 (0.79) GRM3FOLH1NAALAD2
SCHEMBL1376163 0.80 GRM3 (0.79) GRM3FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150079001-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-19 US disclosed
US-20120276007-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA GEORGETOWN UNIVERSITY (US) 2012-11-01 US disclosed
US-8227634-B2 Imaging agents and methods of imaging NAALADase or PSMA POMPER MARTIN GILBERT (US) 2012-07-24 US disclosed
EP-1472541-B1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OF PSMA UNIV JOHNS HOPKINS (US) 2009-09-16 EP disclosed
US-20090117042-A1 Imaging agents and methods of imaging NAALADase or PSMA THE JOHNS HOPKINS UNIVERSITY (US) 2009-05-07 US disclosed
US-7408079-B2 Imaging prostate cancer THE JOHNS HOPKINS UNIVERSITY (US) 2008-08-05 US disclosed
EP-1472541-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OF PSMA The Johns Hopkins University (US) 2004-11-03 EP disclosed
US-20040054190-A1 Imaging prostate cancer JOHNS HOPKINS UNIVERSITY 2004-03-18 US disclosed
WO-2003060523-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OF PSMA JOHNS HOPKINS UNIVERSITY (US) 2003-07-24 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 (4 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-20040054190-A1 Imaging prostate cancer FOLH1, DUT, NAALAD2 GRM3 3266/4885FOLH1 1/4885NAALAD2 3/4885
US-20090117042-A1 Imaging agents and methods of imaging NAALADase or PSMA FOLH1, DNPEP, NAALAD2 GRM3 3274/4885FOLH1 1/4885NAALAD2 3/4885
US-20150079001-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA FOLH1, DNPEP, NAALAD2 GRM3 3274/4885FOLH1 1/4885NAALAD2 3/4885
US-20120276007-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA FOLH1, DNPEP, NAALAD2 GRM3 3274/4885FOLH1 1/4885NAALAD2 3/4885

“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.