SCHEMBL1076969

SCHEMBL1076969

[Li]C(F)(F)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.34
ACHE P22303 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
SCHEMBL10426582 0.79 TSHR (0.48) TSHRTP53TDP1PPARDACHE
SCHEMBL4434268 0.79 TSHR (0.48) TSHRTP53TDP1PPARDACHE
SCHEMBL16469354 0.77 TSHR (0.46) TSHRTP53TDP1PPARDACHE
SCHEMBL10128271 0.77 TSHR (0.46) TSHRTP53TDP1PPARDACHE
SCHEMBL25285395 0.75 TSHR (0.43) TSHRTP53TDP1PPARDACHE
SCHEMBL5595512 0.75 TSHR (0.43) TSHRTP53TDP1PPARDACHE
SCHEMBL263167 0.75 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL4757795 0.75 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL38659955 0.75 TP53 (0.46) TSHRTP53TDP1PPARDACHE
Bromide SCHEMBL2692145 0.73 TSHR (0.48) TSHRTP53TDP1PPARDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131908-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2018-11-20 US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011005860-A2 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-01-13 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 (3 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TSHR 3336/4885TP53 919/4885TDP1 514/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TSHR 3344/4885TP53 919/4885TDP1 518/4885
US-10131908-B2 5′ phosphate mimics NSUN2, RNGTT, RNMT TSHR 3339/4885TP53 931/4885TDP1 515/4885

“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.