SCHEMBL4332359

SCHEMBL4332359

CC(C)(C)c1ccccc1[I+]c1ccccc1C(C)(C)C.N#Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.39
PTGS2 P35354 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.36
RAD51 Q06609 1/20 0.35
KIF11 P52732 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
CYP19A1 P11511 3/20 0.34
IDO1 P14902 1/20 0.34
HSD11B1 P28845 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2634677 0.85 HSD11B1 (0.36) PTGS2HSD11B1KDM4E
SCHEMBL31582661 0.85 HSD11B1 (0.36) PTGS2HSD11B1KDM4E
SCHEMBL3482773 0.82 LMNA (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL29777962 0.82 LMNA (0.40) PTGS2CA12CA1CA2CA9
Phenolsulfonic Acid SCHEMBL5699278 0.81 ENPP2 (0.42) PTGS2CA2HSD11B1
SCHEMBL5699304 0.79 GAA (0.43) CA1CA2HSD11B1
Sulfuric Acid SCHEMBL8628602 0.78 ALDH1A1 (0.38) PTGS2CA2HSD11B1
SCHEMBL7908278 0.78 ALDH1A1 (0.38) PTGS2CA2HSD11B1
SCHEMBL4339834 0.78 MAPT (0.40) SLC22A12CA12CA1CA2CA9
Sulfuric Acid SCHEMBL8628604 0.77 TDP1 (0.41) PTGS2CA2HSD11B1

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 SLC22A12 2490/4885PTGS2 3201/4885CA12 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.