SCHEMBL514068

SCHEMBL514068

CSc1ccccc1[S+](C)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.32
IDO1 P14902 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM2 P08172 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL10560238 0.80
SCHEMBL7616337 0.78 CHRM2 (0.38) ALDH1A1KDM4EMAPTLMNACHRM2
SCHEMBL4109821 0.77 ALDH1A1 (0.33) HTTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL17288985 0.71
SCHEMBL3213151 0.71 ALDH1A1 (0.35) HTTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3189008 0.71 ALDH1A1 (0.35) HTTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL812717 0.71 ALDH1A1 (0.43) HTTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15109080 0.69 TSHR (0.45) ALDH1A1LMNAIDO1
SCHEMBL514390 0.69 ACHE (0.42) ALDH1A1
SCHEMBL6508099 0.69 TSHR (0.45) HTTALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-4845088-A ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4699904-A ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1987-10-13 US disclosed
EP-0207447-A2 Tetrazolyl derivatives of beta-lactams useful as elastase inhibitors MERCK & CO. INC. (US) 1987-01-07 EP 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 HTT 2451/4885ALDH1A1 1574/4885SMN1; SMN2 4115/4885

“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.