SCHEMBL22342625

SCHEMBL22342625

CC(C)(C)OC(=O)C(CCCCNC(=O)CN=[N+]=[N-])NC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.52
▸ RIMKLA Q8IXN7 1/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40

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
SCHEMBL15498130 1.00 FOLH1 (0.52) FOLH1RIMKLANAALAD2
SCHEMBL15498145 0.90 FOLH1 (0.41) FOLH1
SCHEMBL18161564 0.89 TDP1 (0.39) FOLH1
SCHEMBL15510866 0.89 TDP1 (0.39) FOLH1
SCHEMBL15510867 0.89 TDP1 (0.39) FOLH1
SCHEMBL18145414 0.89 FOLH1 (0.61) FOLH1RIMKLANAALAD2
SCHEMBL22712960 0.89 FOLH1 (0.61) FOLH1RIMKLANAALAD2
SCHEMBL18145412 0.89 FOLH1 (0.61) FOLH1RIMKLANAALAD2
SCHEMBL15495587 0.86 TDP1 (0.37) FOLH1
SCHEMBL14682796 0.84 TDP1 (0.45) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407331-A1 UNIVERSAL BUILDING BLOCKS FOR RADIOLABELING HELMHOLTZ-ZENTRUM DRESDEN - ROSSENDORF E.V. (DE) 2020-12-31 — — US disclosed
EP-3694826-A1 UNIVERSAL BUILDING BLOCKS FOR RADIOLABELING Helmholtz-Zentrum Dresden - Rossendorf e.V. (DE) 2020-08-19 — — EP 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-20200407331-A1 UNIVERSAL BUILDING BLOCKS FOR RADIOLABELING TYK2, KIT, FLT3 FOLH1 342/4885RIMKLA 1207/4885NAALAD2 264/4885

“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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