SCHEMBL19360075

SCHEMBL19360075

NCCNC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.44
▸ CA2 P00918 3/20 0.43
▸ CA4 P22748 1/20 0.43
▸ MME P08473 2/20 0.41
▸ NAALAD2 Q9Y3Q0 3/20 0.41
▸ RIMKLA Q8IXN7 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ GGT1 P19440 1/20 0.39

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
SCHEMBL19360085 0.85 EPHX2 (0.42) FOLH1CA2CA4NAALAD2RIMKLA
SCHEMBL22001982 0.83 TGFBR1 (0.50) FOLH1CA2MMENAALAD2RIMKLA
SCHEMBL2742767 0.82 FOLH1 (0.67) FOLH1NAALAD2RIMKLA
SCHEMBL19788058 0.82 FOLH1 (0.67) FOLH1NAALAD2RIMKLA
SCHEMBL14177314 0.80 FOLH1 (0.60) FOLH1CA2CA4MMENAALAD2
SCHEMBL18538622 0.79 FPR2 (0.47) FOLH1NAALAD2RIMKLAMAPTGGT1
SCHEMBL21915797 0.79 CA2 (0.47) FOLH1CA2CA4MMENAALAD2
SCHEMBL7091886 0.76 GGT1 (0.56) FOLH1CA2CA4MMEGGT1
SCHEMBL692576 0.76 GGT1 (0.56) FOLH1CA2CA4MMEGGT1
SCHEMBL381772 0.76 GGT1 (0.56) FOLH1CA2CA4MMEGGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-09-21 — — 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-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer FGB, F13B, FAP FOLH1 7/4885CA2 1558/4885CA4 726/4885

“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.

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