SCHEMBL29970179

SCHEMBL29970179

C=CCc1ccc(OS(=O)(=O)Oc2ccc(OS(=O)(=O)Oc3ccc(CC=C)cc3OC)cc2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ PPARA Q07869 3/20 0.65
▸ PPARG P37231 1/20 0.65
▸ PPARD Q03181 1/20 0.65
▸ PTGS1 P23219 2/20 0.57
▸ CYP3A4 P08684 3/20 0.52
▸ ALOX5 P09917 2/20 0.52
▸ AR P10275 1/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TP53 P04637 2/20 0.49

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
SCHEMBL25297944 0.86 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL1269337 0.84 ALDH1A1 (0.71) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL17318086 0.83 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL18729782 0.83 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
Fluoride SCHEMBL25252504 0.82 ALDH1A1 (0.67) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL113794 0.80 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL1869396 0.80 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL29376951 0.80 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL8157006 0.80 ALDH1A1 (0.57) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL28408730 0.80 ALDH1A1 (0.63) ALDH1A1PPARAPPARGPPARDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 — — US disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 — — EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 — — EP disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 — — 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 (2 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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR ALDH1A1 4622/4885PPARA 816/4885PPARG 757/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 ALDH1A1 3604/4885PPARA 3750/4885PPARG 2714/4885

“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.

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