SCHEMBL11936645

SCHEMBL11936645

O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.78
NAALAD2 Q9Y3Q0 4/20 0.77
ALDH1A1 P00352 1/20 0.61
RIMKLA Q8IXN7 1/20 0.60

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
SCHEMBL4138612 1.00 FOLH1 (0.78) FOLH1NAALAD2ALDH1A1RIMKLA
SCHEMBL11936643 0.89 NAALAD2 (0.66) FOLH1NAALAD2
SCHEMBL4139133 0.89 NAALAD2 (0.66) FOLH1NAALAD2
SCHEMBL11940476 0.88 FOLH1 (0.64) FOLH1NAALAD2ALDH1A1
SCHEMBL14729306 0.88 FOLH1 (1.00) FOLH1NAALAD2
SCHEMBL4147088 0.87 FOLH1 (0.69) FOLH1NAALAD2ALDH1A1
SCHEMBL11936641 0.87 FOLH1 (0.69) FOLH1NAALAD2ALDH1A1
SCHEMBL9965331 0.87 NAALAD2 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL13515316 0.87 NAALAD2 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL4316981 0.87 NAALAD2 (1.00) FOLH1NAALAD2RIMKLA

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-20150079001-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-19 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 FOLH1 1/4885NAALAD2 3/4885ALDH1A1 752/4885
US-20150079001-A1 IMAGING AGENTS AND METHODS OF IMAGING NAALADASE OR PSMA FOLH1, DNPEP, NAALAD2 FOLH1 1/4885NAALAD2 3/4885ALDH1A1 752/4885

“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.