SCHEMBL4615298

SCHEMBL4615298

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HPGD P15428 1/20 0.33
SERPINE1 P05121 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NNMT P40261 1/20 0.32
GMPS P49915 1/20 0.32
FURIN P09958 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
SCHEMBL4580348 0.80 ABCB1 (0.48) ABCB1ARPOLBMAPK1ALDH1A1
SCHEMBL4580162 0.79 ALDH1A1 (0.37) POLBMAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL6936998 0.79 KMT2A (0.48) POLBMAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL30732620 0.78 ABCB1 (0.46) ABCB1ARALDH1A1KMT2AHPGD
SCHEMBL4582217 0.76 GAA (0.48) ABCB1ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL8375493 0.76 LMNA (0.41) ABCB1ARALDH1A1SMN1; SMN2LMNA
SCHEMBL30732527 0.75 ABCB1 (0.54) ABCB1ARPOLBMAPK1ALDH1A1
SCHEMBL9566637 0.72 SMN1; SMN2 (0.45) ABCB1ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL25383586 0.70 TDP1 (0.47) ABCB1ARALDH1A1SMN1; SMN2KMT2A
SCHEMBL6131652 0.70 NTRK2 (0.49) POLBALDH1A1SMN1; SMN2HTTMITF

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 1927/4885AR 220/4885POLB 4390/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS ABCB1 1331/4885AR 273/4885POLB 4527/4885

“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.