SCHEMBL18211368

SCHEMBL18211368

CCCN(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 1/20 0.43
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA2 P00918 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA9 Q16790 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DGAT1 O75907 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9019266 0.83 CA14 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL12928688 0.83 HDAC6 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL13234106 0.81 CA12 (0.37) CA14CA12CA1CA7CA2
SCHEMBL20000467 0.80 CA14 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL16989811 0.80 CA14 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL26109970 0.79 HDAC6 (0.37) CA14CA12CA1CA7HDAC6
SCHEMBL29126662 0.79 HDAC6 (0.37) CA14CA12CA1CA7HDAC6
SCHEMBL2608081 0.78 CA14 (0.49) CA14CA12CA1CA7HDAC6
SCHEMBL7905771 0.77 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL9901110 0.77 CA14 (0.44) CA14CA12CA1CA7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 CA14 3142/4885CA12 2943/4885CA1 3605/4885

“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.