SCHEMBL1607406

SCHEMBL1607406

O=C(O)COC(F)(F)F.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
ACLY P53396 2/20 0.31
ALOX15 P16050 1/20 0.31
PKM P14618 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
SCHEMBL1118445 0.97
SCHEMBL1607266 0.77
SCHEMBL11669967 0.76 TSHR (0.38) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL15677656 0.76
SCHEMBL31681398 0.76 TSHR (0.38) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL817363 0.75 CES2 (0.34) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL23637744 0.72
SCHEMBL22118467 0.72 ALDH1A1 (0.32)
SCHEMBL15202801 0.72
SCHEMBL12273895 0.72

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-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 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-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS ZRANB2, ORC3, IKZF2 TSHR 2163/4885CTH 3060/4885CBS 2090/4885

“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.