SCHEMBL463455

SCHEMBL463455

CC(C)(C)OC(=O)NCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TLR1 Q15399 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL30973621 1.00 TLR2 (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL12231705 1.00 TLR2 (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL16048758 0.94 TLR2 (0.51) TLR2KMT2AMDM2MDM4TP53
SCHEMBL16048760 0.94 TLR2 (0.51) TLR2KMT2AMDM2MDM4TP53
SCHEMBL12254867 0.93 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL14026846 0.93 TLR2 (0.49) TLR2KMT2AMDM2MDM4TP53
SCHEMBL25845385 0.92 TLR2 (0.54) TLR2KMT2AMDM2MDM4TP53
SCHEMBL18709106 0.91 TLR2 (0.49) TLR2KMT2AMDM2MDM4TP53
SCHEMBL23447188 0.90 TLR2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL30684555 0.90 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53

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-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
WO-2010092114-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2010-08-19 — — WO 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 TLR2 4649/4885KMT2A 4751/4885MDM2 1556/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR TLR2 2632/4885KMT2A 831/4885MDM2 3574/4885

“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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