SCHEMBL4328680

SCHEMBL4328680

N#Cc1ccc(S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TSHR P16473 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
CYP19A1 P11511 3/20 0.43
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
EEF2K O00418 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LSS P48449 1/20 0.40
AR P10275 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 1/20 0.39
RAD51 Q06609 1/20 0.39

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
SCHEMBL4339834 0.83 MAPT (0.40) MAPTCA12CA1CA2CA9
Silver SCHEMBL4326545 0.82 CA2 (0.55) MAPTCA12CA1CA2CA9
SCHEMBL29404389 0.82 TSHR (0.59) MAPTTSHRCA12CA2CA9
SCHEMBL28445682 0.82 CA2 (0.55) MAPTCA12CA1CA2CA9
SCHEMBL137132 0.82 HTR6 (0.46) TSHRCA12CA1CA2CA9
Iodide SCHEMBL7892738 0.81 TSHR (0.56) MAPTTSHRCA12CA2CA9
SCHEMBL6027013 0.77 CA1 (0.66) CA12CA1CA2CA9CYP19A1
SCHEMBL5407516 0.76 TSHR (0.42) MAPTTSHRCA12CA1CA2
Sulfuric Acid SCHEMBL5798230 0.76 HTR6 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL7133269 0.76 CA12 (0.47) CA12CA1CA2CA9KDM4E

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
WO-2009091704-A2 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-23 WO disclosed
US-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-16 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-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME PFAS, AFF1, AFF2 MAPT 1966/4885TSHR 887/4885CA12 3297/4885

“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.