SCHEMBL16447667

SCHEMBL16447667

O=C(OCC(F)C(F)(F)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 4/20 0.46
ADRB1 P08588 4/20 0.46
ADRB3 P13945 4/20 0.46
PRKCA P17252 1/20 0.44
LMNA P02545 3/20 0.41
SLC1A5 Q15758 1/20 0.41
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL16663894 0.87 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16451617 0.86 ADRB2 (0.47) ALDH1A1TDP1KMT2AADRB2ADRB1
SCHEMBL14985840 0.86 TDP1 (0.49) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16448303 0.80 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL15294996 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16451616 0.78 CA1 (0.46) ALDH1A1MAPK1TSHR
SCHEMBL24268482 0.76 ESR1 (0.48) ALDH1A1TDP1MAPK1SLC6A2KMT2A
SCHEMBL15084182 0.76 TDP1 (0.47) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL18232577 0.76 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16451619 0.76 SMN1; SMN2 (0.37) ALDH1A1TDP1KMT2ATSHRKDM4E

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
US-9865823-B2 Quinolinium dyes with fluorinated counter anion for dye sensitized solar cells BASF SE (DE) 2018-01-09 US disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
US-20160334706-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-17 US disclosed
CN-104379628-B Sulfonium compound, it prepares and application thereof 巴斯夫欧洲公司 2016-11-16 CN disclosed
US-20150108415-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2015-04-23 US disclosed
US-20150108415-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2015-04-23 US disclosed
CN-104379628-A Sulfonium compounds, their preparation and use BASF SE 2015-02-25 CN disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 US disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 US disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 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 (1 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-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA ALDH1A1 573/4885TDP1 4296/4885MAPK1 2369/4885

“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.