SCHEMBL514272

SCHEMBL514272

C[S+]([O-])c1ccc(I)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
HDAC8 Q9BY41 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL16705494 0.87 LTA4H (0.37) CA1CA2MMP2MMP9
SCHEMBL8779728 0.85
SCHEMBL17907429 0.77
SCHEMBL2784582 0.77 CA1 (0.36) CA1CA2HDAC8MMP1MMP2
SCHEMBL254471 0.74 ACHE (0.47) CA1CA2
SCHEMBL1094237 0.74 ACHE (0.47) CA1CA2
SCHEMBL280535 0.74 ACHE (0.47) CA1CA2
SCHEMBL10200928 0.72 MEN1 (0.44) CA1CA2
SCHEMBL514594 0.72 MEN1 (0.44) CA1CA2
SCHEMBL15109075 0.72 LMNA (0.44) CA1CA2HDAC8

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 14 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
CN-116219450-A Electrochemical synthesis method of sulfoxide or sulfone compound 成都大学 2023-06-06 CN disclosed
EP-3988547-A1 INDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2022-04-27 EP disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-108290875-A Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 德山新勒克斯有限公司 2018-07-17 CN disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 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-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 CA1 1364/4885CA2 200/4885HDAC8 3728/4885

“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.