SCHEMBL543726

SCHEMBL543726

CCOC(=O)CCCC(F)(F)C(F)(F)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPA1 O75762 1/20 0.41
GAA P10253 2/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL11235160 0.89 ALDH1A1 (0.43) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL10447497 0.82 CYP1A2 (0.48) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL15920998 0.81 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL6343046 0.81 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL7977500 0.81 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL10291177 0.79 CYP1A2 (0.48) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL9438171 0.77 CYP1A2 (0.48) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL25290311 0.76 CYP1A2 (0.50) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL12480501 0.76 CYP1A2 (0.50) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL28110443 0.76 CYP1A2 (0.50) CYP1A2NR1I2PGRADORA3PTGS2

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-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-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-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
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
CN-101687740-A Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2010-03-31 CN 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 (2 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 CYP1A2 380/4885NR1I2 3914/4885PGR 4871/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 CYP1A2 380/4885NR1I2 3914/4885PGR 4871/4885

“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.