SCHEMBL2391334

SCHEMBL2391334

O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)OC(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
NR1H3 Q13133 4/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H2 P55055 3/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4367948 0.79
SCHEMBL7708209 0.78 HSD11B1 (0.34) HSD11B1NR1H3NR1H2MEN1TSHR
SCHEMBL37033 0.75 HTR6 (0.42) HSD11B1NR1H3NR1H2TSHR
SCHEMBL962839 0.74 HSD11B1 (0.41) HSD11B1NR1H3NR1H2ABCC9ABCC8
SCHEMBL482039 0.74 HSD11B1 (0.36) HSD11B1NR1H3NR1H2ABCC9ABCC8
SCHEMBL1484104 0.72 RORC (0.35) HSD11B1NR1H3NR1H2TSHR
SCHEMBL965951 0.71 CA1 (0.39) HSD11B1NR1H3NR1H2ABCC9ABCC8
SCHEMBL2437767 0.71 HTR6 (0.38) HSD11B1NR1H3NR1H2TSHR
SCHEMBL217002 0.71 HTR6 (0.38) HSD11B1NR1H3NR1H2TSHR
SCHEMBL51400 0.70 CA1 (0.43) HSD11B1NR1H3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539316-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2019-10-23 EP disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
EP-2838927-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-25 EP disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 US disclosed
US-8580478-B2 Latent acids and their use BASF SE (DE) 2013-11-12 US disclosed
WO-2013156509-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2013-10-24 WO disclosed
EP-2539316-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2013-01-02 EP disclosed
US-20110217654-A1 Latent acids and their use BASF SE (DE) 2011-09-08 US disclosed
WO-2011104127-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2011-09-01 WO 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-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA HSD11B1 1781/4885NR1H3 261/4885GAA 3590/4885
US-20110217654-A1 Latent acids and their use NR1H3, NR1H2, NR2E3 HSD11B1 185/4885NR1H3 1/4885GAA 4412/4885

“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.