SCHEMBL408871

SCHEMBL408871

NCCNC(=O)CC[C@H](NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.72
FPGS Q05932 3/20 0.59
ATIC P31939 2/20 0.58
TYMS P04818 2/20 0.58
GART P22102 1/20 0.58

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
SCHEMBL410474 0.90 DHFR (0.76) DHFRFPGSATICTYMSGART
Dideazafolate SCHEMBL10036542 0.89 DHFR (0.90) DHFRATICTYMSGART
Dideazafolate SCHEMBL30799321 0.89 DHFR (0.90) DHFRATICTYMSGART
SCHEMBL29617327 0.88 DHFR (0.74) DHFRFPGSATICTYMSGART
SCHEMBL24413587 0.86 DHFR (0.76) DHFRFPGSATICTYMSGART
SCHEMBL15507841 0.86 DHFR (0.75) DHFRFPGSATICTYMSGART
SCHEMBL463689 0.85 DHFR (0.63) DHFRATICTYMSGART
SCHEMBL29692260 0.84 DHFR (1.00) DHFRATICTYMSGART
SCHEMBL463708 0.83 DHFR (0.58) DHFRFPGSATICTYMSGART
SCHEMBL6449047 0.82 DHFR (0.77) DHFRATICTYMSGART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396040-B1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET SA (FR) 2017-04-05 EP disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 DHFR 408/4885FPGS 311/4885ATIC 988/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR DHFR 3/4885FPGS 10/4885ATIC 70/4885

“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.