SCHEMBL11941362

SCHEMBL11941362

O=C[C@H](CCC(=O)O)NC(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 4/20 0.59
MME P08473 2/20 0.55
ACE P12821 2/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
FOLH1 Q04609 7/20 0.54
NAALAD2 Q9Y3Q0 2/20 0.54
PPARG P37231 2/20 0.49
ALDH1A1 P00352 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
SCHEMBL4139133 0.91 NAALAD2 (0.66) GPR34MMEACECPA1ACE2
SCHEMBL11936643 0.91 NAALAD2 (0.66) GPR34MMEACECPA1ACE2
SCHEMBL11940476 0.90 FOLH1 (0.64) FOLH1NAALAD2ALDH1A1
SCHEMBL11941361 0.86 FOLH1 (0.57) GPR34FOLH1NAALAD2ALDH1A1
SCHEMBL13538922 0.82 NAALAD2 (0.78) MMEACECPA1ACE2FOLH1
SCHEMBL11941426 0.80 NAALAD2 (0.77) ACEFOLH1NAALAD2
SCHEMBL14116846 0.80 NAALAD2 (0.77) ACEFOLH1NAALAD2
SCHEMBL11936645 0.80 FOLH1 (0.78) FOLH1NAALAD2ALDH1A1
SCHEMBL4138612 0.80 FOLH1 (0.78) FOLH1NAALAD2ALDH1A1
SCHEMBL11941364 0.79 NAALAD2 (0.61) FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090117042-A1 Imaging agents and methods of imaging NAALADase or PSMA FOLH1, DNPEP, NAALAD2 GPR34 2183/4885MME 253/4885ACE 362/4885
US-20120276007-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA FOLH1, DNPEP, NAALAD2 GPR34 2183/4885MME 253/4885ACE 362/4885

“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.