SCHEMBL6097634

SCHEMBL6097634

CCCS(=O)(=O)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.45
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ALDH1A1 P00352 7/20 0.41
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7194392 0.89 KEAP1 (0.57) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL1911906 0.88 KEAP1 (0.58) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL8778827 0.86 KEAP1 (0.60) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL9101224 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL9102994 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL9099940 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL8778703 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL8778811 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL8778823 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT
SCHEMBL9099317 0.85 KEAP1 (0.59) KEAP1NFE2L2RAPGEF4ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
CN-101502770-A Performance additives for improving the wetting properties of ionic liquids on solid surfaces EVONIK GOLDSCHMIDT GMBH (DE) 2009-08-12 CN disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US disclosed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KEAP1 3107/4885NFE2L2 1071/4885RAPGEF4 3398/4885

“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.