SCHEMBL3789676

SCHEMBL3789676

CC(C)(C)C(=O)OC(CS(=O)(=O)O[I+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RORA P35398 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3794345 0.80 RORA (0.37) PDK1PDK2PDK3PDK4RORA
SCHEMBL3789669 0.74 HSD11B1 (0.34) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL4483668 0.73 CA1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL218164 0.73 CA2 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL503161 0.69 CNR2 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL3174085 0.69 CA1 (0.38) PDK1PDK2PDK3PDK4RORA
SCHEMBL3786564 0.69 HSD11B1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL114860 0.69 CA1 (0.36) PDK1PDK2PDK3PDK4RORA
SCHEMBL36628 0.69 CA1 (0.40) RORASMN1; SMN2ALDH1A1
SCHEMBL11991286 0.68

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-8283104-B2 Sulfonate and its derivative, photosensitive acid generator, and resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-19 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-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME DAP3, MRPS23, ASIC3 PDK1 3874/4885PDK2 2377/4885PDK3 2079/4885

“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.