SCHEMBL463153

SCHEMBL463153

Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCNC(=O)CCC(C(=O)O)N4CCN(CC(=O)O)CCN(CC(=O)O)CC4)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
POLB P06746 1/20 0.69
GAA P10253 1/20 0.69
AKR1B1 P15121 1/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
PTGS2 P35354 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ADORA3 P0DMS8 1/20 0.52
DHFR P00374 7/20 0.50
GART P22102 2/20 0.50
ATIC P31939 2/20 0.50
MTHFD1 P11586 1/20 0.42

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
SCHEMBL12801450 1.00 TYMS (0.69) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL16587653 0.96 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801317 0.94 TYMS (0.74) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801597 0.94 TYMS (0.63) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801459 0.94 TYMS (0.62) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801452 0.94 TYMS (0.62) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801299 0.93 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801815 0.92 TYMS (0.60) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL18709115 0.92 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL463185 0.91 TYMS (0.58) TYMSKDM4EMEN1ALDH1A1POLB

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
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-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

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 TYMS 2924/4885KDM4E 4795/4885MEN1 136/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR TYMS 26/4885KDM4E 4207/4885MEN1 1282/4885

“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.