SCHEMBL4581763

SCHEMBL4581763

CC(=O)OCC(COC(C)=O)NC(=O)c1cc(N)cc(C(=O)NC(COC(C)=O)COC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.38
TAS1R1 Q7RTX1 9/20 0.38
CTSL P07711 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
PIN1 Q13526 1/20 0.34
ABCB1 P08183 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL4579151 0.80 MAPT (0.47) SMN1; SMN2HTT
SCHEMBL4580162 0.77 ALDH1A1 (0.37) CTSLSMN1; SMN2HTT
SCHEMBL4609315 0.76 TAS1R3 (0.38) TAS1R3TAS1R1HTT
SCHEMBL4580348 0.76 ABCB1 (0.48) HTTADRB2ADRB1ADRB3ABCB1
SCHEMBL18020906 0.73 POLB (0.47) TAS1R3TAS1R1SMN1; SMN2HTT
SCHEMBL4581623 0.73 KMT2A (0.54) SMN1; SMN2HTT
SCHEMBL14947134 0.73 TAS1R3 (0.52) TAS1R3TAS1R1HTTADRB2ADRB1
SCHEMBL15358753 0.73 TAS1R3 (0.38) TAS1R3TAS1R1HTT
SCHEMBL20758873 0.72 GRN (0.35) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL19312017 0.71 TAS1R3 (0.35) TAS1R3TAS1R1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 US disclosed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US disclosed
US-6875864-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-05 US disclosed
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US disclosed
EP-0543482-B1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INT BV (NL) 2002-02-06 EP disclosed
EP-0543482-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 1993-05-26 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 (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-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties ARGLU1, PRMT1, AADAC TAS1R3 203/4885TAS1R1 201/4885CTSL 2578/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS TAS1R3 137/4885TAS1R1 488/4885CTSL 1886/4885

“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.