SCHEMBL15499792

SCHEMBL15499792

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)Nc1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.75
CA2 P00918 19/20 0.75
CA4 P22748 10/20 0.75
CA12 O43570 4/20 0.75
CA9 Q16790 4/20 0.75
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL4268752 0.93 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL4272357 0.93 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.92 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL19663826 0.92 CA1 (0.70) CA1CA2CA4CA12CA9
SCHEMBL6047697 0.91 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL13523712 0.86 CA1 (0.60) CA1CA2CA4CA12CA9
SCHEMBL13523716 0.85 CA1 (0.59) CA1CA2CA4CA12CA9
SCHEMBL6047699 0.85 CA1 (0.59) CA1CA2CA4CA12CA9
SCHEMBL4365925 0.85 HDAC1 (0.65) CA1CA2CA4CA12CA9
SCHEMBL19370390 0.85 CA1 (1.00) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF RF THERAPEUTICS INC. (CA) 2014-03-06 US 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-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF ANTXR2, CALCOCO2, PAICS CA1 89/4885CA2 88/4885CA4 51/4885

“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.