SCHEMBL10128274

SCHEMBL10128274

CCOP(=O)(OCC)C(F)(F)C(C)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 2/20 0.33
ALDH1A1 P00352 1/20 0.30
ACHE P22303 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
SCHEMBL10128271 0.80 TSHR (0.46) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL10128548 0.77 PPARD (0.39) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL10426582 0.77 TSHR (0.48) TSHRTP53TDP1PPARDACHE
SCHEMBL4434268 0.77 TSHR (0.48) TSHRTP53TDP1PPARDACHE
SCHEMBL10128728 0.74 TSHR (0.40) TSHRTP53TDP1PPARD
SCHEMBL13657439 0.74 TSHR (0.50) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL9115350 0.74 TSHR (0.50) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL25285395 0.73 TSHR (0.43) TSHRTP53TDP1PPARDACHE
SCHEMBL5595512 0.73 TSHR (0.43) TSHRTP53TDP1PPARDACHE
SCHEMBL4757795 0.73 TSHR (0.43) TSHRTP53TDP1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US disclosed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 US disclosed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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 (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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 TSHR 2541/4885TP53 4791/4885TDP1 1139/4885
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI TSHR 14/4885TP53 850/4885TDP1 3789/4885
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, FANCF, FANCI TSHR 14/4885TP53 850/4885TDP1 3789/4885

“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.