SCHEMBL543540

SCHEMBL543540

O=C(OCc1ccccc1)C(F)(F)Br

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PTPN1 P18031 3/20 0.52
PTPRC P08575 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
TSHR P16473 1/20 0.47
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL3296385 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27923357 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL9579513 0.84 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL12128693 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19695641 0.83 KMT2A (0.54) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19105239 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL24142683 0.81 KMT2A (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27954863 0.81 PTPN1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27168694 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Acetic Acid SCHEMBL27401419 0.81 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880012-B1 COMPOUNDS PHOTOCURE ASA (NO) 2021-12-15 EP disclosed
CN-113735710-A Visible light promoted aryl fluoralkylation product of olefin and preparation method thereof 西安交通大学 2021-12-03 CN disclosed
US-20210221766-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2021-07-22 US disclosed
EP-2479614-B1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYMER AND POLYMERIZABLE COMPOUND JSR CORP (JP) 2019-07-24 EP disclosed
EP-2781959-B1 Radiation-sensitive resin composition, method for forming resist pattern, polymer and polymerizable compound JSR CORP (JP) 2019-04-24 EP disclosed
EP-2781959-B1 Radiation-sensitive resin composition, method for forming resist pattern, polymer and polymerizable compound JSR CORP (JP) 2019-04-24 EP disclosed
WO-2018141986-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141986-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO 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
WO-2011034176-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYMER AND POLYMERIZABLE COMPOUND JSR株式会社 (JP) 2011-03-24 WO 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-5597841-A 2-saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP, INC. (US) 1997-01-28 US disclosed
EP-0594257-B1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC (US) 1996-07-10 EP disclosed
US-5512589-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP INC. (US) 1996-04-30 US disclosed
EP-0594257-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1994-04-27 EP disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 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 ALDH1A1 28/4885KMT2A 1002/4885TDP1 2068/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 ALDH1A1 28/4885KMT2A 1002/4885TDP1 2068/4885
US-20210221766-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND AFF2, AFF1, AFF4 ALDH1A1 301/4885KMT2A 346/4885TDP1 3545/4885

“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.