SCHEMBL543675

SCHEMBL543675

CCCOC(=O)C(F)(F)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CES2 O00748 1/20 0.34
PDK2 Q15119 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
GRM1 Q13255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL543653 0.87 ALDH1A1 (0.50) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL544533 0.85 NAAA (0.48) ALDH1A1LMNATSHRESR1HCAR2
SCHEMBL544683 0.84 NAAA (0.52) ALDH1A1LMNATSHRESR1HCAR2
SCHEMBL20460614 0.84 NAAA (0.52) ALDH1A1LMNATSHRESR1HCAR2
SCHEMBL162440 0.81
SCHEMBL3289502 0.81 CES2 (0.41) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL9419509 0.81 ALDH1A1 (0.43) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL30958713 0.79 PTPN1 (0.32)
SCHEMBL2332385 0.79 ALDH1A1 (0.42) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL19105203 0.79 HCAR2 (0.39) ALDH1A1LMNATSHRESR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
US-11084792-B2 Method for producing difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2021-08-10 US disclosed
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
CN-110536885-A Method for producing difluoromethylene compound SATO PHARMA 2019-12-03 CN disclosed
CN-104761446-A Preparation method of 2-bromo-2,2-difluoroacetyl chloride and 2-bromo-2,2-difluoro acetate and recycling method of waste difluoro trichloroethane JIANGXI SUNWAY CHEM CO LTD 2015-07-08 CN disclosed
CN-101687740-B Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2014-07-02 CN 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-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 (4 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 ALDH1A1 28/4885LMNA 3063/4885TSHR 3752/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 ALDH1A1 28/4885LMNA 3063/4885TSHR 3752/4885
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND HACL2, MGLL, ABL1 ALDH1A1 349/4885LMNA 3268/4885TSHR 439/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 ALDH1A1 349/4885LMNA 3268/4885TSHR 439/4885

“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.