SCHEMBL5124099

SCHEMBL5124099

CC(C)(C)c1ccc([S+](c2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
KIF11 P52732 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
HSD11B1 P28845 1/20 0.33
AKR1C3 P42330 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
RORA P35398 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
SCHEMBL3779517 0.86 CA1 (0.34) CA1CA2CA9ALDH1A1
SCHEMBL548130 0.84 PIK3CD (0.42) CA1CA2CA9JAK2JAK3
SCHEMBL1802710 0.83 CA2 (0.43) CA1CA2CA9JAK2JAK3
SCHEMBL5438873 0.83 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1MEN1
SCHEMBL19313632 0.82 CA1 (0.44) CA1CA2CA9JAK2JAK3
SCHEMBL51945 0.81 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1MEN1
SCHEMBL5856331 0.81 CA2 (0.43) CA1CA2CA9JAK2JAK3
Diphenylsulfane SCHEMBL2897548 0.80 CA1 (0.43) CA1CA2CA9ALDH1A1MEN1
SCHEMBL678361 0.80 ALDH1A1 (0.38) CA1CA2CA9ALDH1A1MEN1
SCHEMBL575913 0.80 CA2 (0.51) CA1CA2CA9JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396960-B2 Sulfonium salts TOYO GOSEI CO., LTD. (JP) 2008-07-08 US disclosed
US-20070219368-A1 Sulfonium salts TOYO GOSEI CO., LTD. (JP) 2007-09-20 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-20070219368-A1 Sulfonium salts C1S, F12, C1R CA1 421/4885CA2 198/4885CA9 698/4885

“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.