SCHEMBL4580348

SCHEMBL4580348

CC(=O)OCC(CNC(=O)c1cc(N)cc(C(=O)NCC(COC(C)=O)OC(C)=O)c1)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SERPINE1 P05121 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AR P10275 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
NEU1 Q99519 1/20 0.32
NEU3 Q9UQ49 1/20 0.32

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
SCHEMBL4582217 0.82 GAA (0.48) ABCB1GAAKMT2AALDH1A1LMNA
SCHEMBL30732620 0.82 ABCB1 (0.46) ABCB1GAAKMT2ASERPINE1TDP1
SCHEMBL30732527 0.81 ABCB1 (0.54) ABCB1GAAKMT2AHSD17B10SERPINE1
SCHEMBL4615298 0.80 ABCB1 (0.43) ABCB1GAAKMT2AHSD17B10SERPINE1
SCHEMBL9566637 0.80 SMN1; SMN2 (0.45) ABCB1GAAKMT2AALDH1A1LMNA
SCHEMBL4581763 0.76 TAS1R3 (0.38) ABCB1ADRB2ADRB1ADRB3HTT
SCHEMBL9515975 0.75 ABCB1 (0.37) ABCB1GAATDP1ARLMNA
SCHEMBL7523412 0.75 ABCB1 (0.37) ABCB1GAATDP1AR
SCHEMBL5484159 0.75 ABCB1 (0.42) ABCB1GAASERPINE1TDP1AR
SCHEMBL1359798 0.75 LMNA (0.38) ABCB1GAATDP1ARLMNA

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 ABCB1 1927/4885GAA 4341/4885KMT2A 570/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS ABCB1 1331/4885GAA 3645/4885KMT2A 752/4885

“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.