SCHEMBL29308571

SCHEMBL29308571

CCC[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA14 Q9ULX7 3/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10088095 1.00 CA1 (0.40) CA1CA2ZDHHC7MAPTHTT
SCHEMBL29308554 1.00 CA1 (0.40) CA1CA2ZDHHC7MAPTHTT
SCHEMBL14003053 0.87 HTT (0.36) MAPTHTTSMN1; SMN2HSD17B10HDAC1
SCHEMBL9327185 0.87 HTT (0.36) MAPTHTTSMN1; SMN2HSD17B10HDAC1
SCHEMBL21261493 0.86 CA1 (0.38) CA1CA2MAPTHTTSMN1; SMN2
SCHEMBL15382587 0.86 CA1 (0.38) CA1CA2MAPTHTTSMN1; SMN2
SCHEMBL2332745 0.86 CA1 (0.38) CA1CA2MAPTHTTSMN1; SMN2
SCHEMBL10088094 0.85 GABRR1 (0.32) CA1CA2CA14CA12CA7
SCHEMBL700951 0.84 HDAC1 (0.39) CA2MAPTHDAC1HDAC2CHRM1
SCHEMBL701747 0.84 HDAC1 (0.39) CA2MAPTHDAC1HDAC2CHRM1

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-12036289-B2 Gadolinium bearing PCTA-based contrast agents BRACCO IMAGING S.P.A. (IT) 2024-07-16 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-12036289-B2 Gadolinium bearing PCTA-based contrast agents GLRX3, GLRA1, GRHPR CA1 482/4885CA2 491/4885ZDHHC7 2876/4885

“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.