SCHEMBL2070870

SCHEMBL2070870

CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
F2 P00734 6/20 0.35
TMPRSS6 Q8IU80 4/20 0.35
SLC7A5 Q01650 1/20 0.34
STAT3 P40763 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31

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
SCHEMBL8216517 0.85 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL7708207 0.82 GPR3 (0.34) CA1CA2CA9
SCHEMBL2072597 0.81 CA1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL13131074 0.80 TDP1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL7702806 0.80 HSD11B1 (0.38) CA1CA2ALDH1A1TDP1
SCHEMBL7702718 0.80 GPR3 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL7708749 0.80 GPR3 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL7708214 0.77 PSEN1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL7711392 0.75 MMP13 (0.33) ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL406729 0.74 TSHR (0.49) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901867-B2 Sulphonium salt initiators BASF SE (DE) 2011-03-08 US disclosed
EP-1902019-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-07-07 EP disclosed
US-20090208872-A1 Sulphonium Salt Initiators BASF SE (DE) 2009-08-20 US disclosed
EP-1902019-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-26 EP disclosed
WO-2007003507-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 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 (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-20090208872-A1 Sulphonium Salt Initiators OR10J3, OXSR1, ARSA CA12 2119/4885CA1 579/4885CA2 226/4885

“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.