SCHEMBL10144812

SCHEMBL10144812

COS(=O)(=O)C(F)(F)C(OC(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL2882269 0.86 TSHR (0.42) TSHRTP53KMT2APDCD1CD274
SCHEMBL382685 0.85 TSHR (0.47) TSHRTP53KMT2APDCD1CD274
SCHEMBL482458 0.84 TSHR (0.46) TSHRTP53KMT2APDCD1CD274
Hydrogen Sulfide SCHEMBL2882266 0.84 TSHR (0.46) TSHRTP53KMT2APDCD1CD274
SCHEMBL19042453 0.82 TSHR (0.45) TSHRTP53KMT2APDCD1CD274
SCHEMBL246107 0.82 TSHR (0.40) TSHRTP53KMT2APDCD1CD274
SCHEMBL27860967 0.82 KMT2A (0.44) TSHRTP53KMT2APDCD1CD274
SCHEMBL482457 0.81 TSHR (0.44) TSHRTP53KMT2APDCD1CD274
SCHEMBL4763671 0.81 TSHR (0.57) TSHRTP53KMT2APDCD1CD274
SCHEMBL18785766 0.80 TP53 (0.42) TSHRTP53KMT2APDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-8222448-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-8110711-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110034721-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-02-10 US disclosed
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-01-20 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-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 TSHR 3752/4885TP53 3865/4885KMT2A 1002/4885
US-20110034721-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS TSHR 4185/4885TP53 2757/4885KMT2A 3228/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 TSHR 3752/4885TP53 3865/4885KMT2A 1002/4885

“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.