SCHEMBL6741833

SCHEMBL6741833

CC(O)(OS(=O)(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 5/20 0.44
PTPRC P08575 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7882887 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL7882885 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL12128693 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL19105239 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL4582017 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL14855865 0.77 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2241428 0.77 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL14783691 0.77 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL24347012 0.76 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL3756497 0.76 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPK1L3MBTL1

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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6693190-B1 TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS BRACCO INTERNATIONAL B.V. (NL) 2004-02-17 US disclosed
EP-0708761-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO International B.V. (NL) 1996-05-01 EP disclosed
WO-1995031444-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 1995-11-23 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 (1 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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 KMT2A 87/4885MEN1 36/4885ALDH1A1 2468/4885

“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.