SCHEMBL752449

SCHEMBL752449

O=[N+]([O-])c1ccc(S(=O)(=O)C(Br)(Br)Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.57
CA1 P00915 8/20 0.57
CA9 Q16790 7/20 0.57
CA12 O43570 5/20 0.57
CA14 Q9ULX7 4/20 0.57
CA5A P35218 4/20 0.57
CA3 P07451 3/20 0.57
CA4 P22748 3/20 0.57
CA6 P23280 3/20 0.57
CA7 P43166 3/20 0.57
CA13 Q8N1Q1 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47

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
SCHEMBL752448 1.00 CA2 (0.57) CA2CA1CA9CA12CA14
SCHEMBL30888176 0.84 CA2 (0.59) CA2CA1CA9CA12CA14
SCHEMBL5018973 0.81 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL11093420 0.81 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL8142887 0.81 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL14354527 0.81 ALDH1A1 (0.50) CA2CA1CA9CA12CA14
SCHEMBL11400266 0.78 CA2 (0.52) CA2CA1CA9CA12CA14
SCHEMBL11410534 0.78 CA2 (0.52) CA2CA1CA9CA12CA14
SCHEMBL1147674 0.77 CA2 (0.61) CA2CA1CA9CA12CA14
SCHEMBL11419996 0.77 CA2 (0.67) CA2CA1CA9CA12CA14

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP claimed
EP-2213166-A1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GmbH (DE) 2010-08-04 EP claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
EP-0137228-B1 PHOTOPOLYMERIZABLE COMPOSITION FUJI PHOTO FILM CO., LTD. (JP) 1988-10-05 EP claimed
US-4661434-A PHOTORESISTS FUJI PHOTO FILM CO., LTD. (JP) 1987-04-28 US claimed
EP-0137228-A2 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1985-04-17 EP claimed
US-12613133-B2 Inspection tool and inspection method FUJIFILM CORPORATION (JP) 2026-04-28 US disclosed
US-12540848-B2 Ultraviolet inspection tool, ultraviolet inspection kit, and ultraviolet inspection method FUJFILM CORPORATION (JP) 2026-02-03 US disclosed
US-12436096-B2 Ultraviolet inspection tool and inspection method using a visual indicator FUJIFILM CORPORATION (JP) 2025-10-07 US disclosed
US-12372397-B2 Ultraviolet-sensing member, microcapsule, production method of microcapsule, dispersion liquid for forming ultraviolet-sensing layer, and ultraviolet-sensing kit FUJIFILM CORPORATION (JP) 2025-07-29 US disclosed
EP-4317361-B1 TEST TOOL AND TESTING METHOD FUJIFILM CORP (JP) 2025-01-29 EP disclosed
US-20240280405-A1 INSPECTION TOOL AND INSPECTION METHOD FUJIFILM CORPORATION (JP) 2024-08-22 US disclosed
EP-4317361-A1 TEST TOOL AND TESTING METHOD FUJIFILM Corporation (JP) 2024-02-07 EP disclosed
US-4657942-A LITHOGRAPHIC PRINTING PLATES, RESIN LETTERPRESS, RESISTS, 2-MERCAPTO-1,3,4-TIADIAZOLE FOR INCREASED SENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1987-04-14 US disclosed
US-4584260-A 4,41-BIS(DIALKYLAMINO)BENZOPHENONE A BENZOPHENONE, 1,3,4-OXADIAZOLE COMPOUND, AROMATIC HALOGENATED SULFONE, QUINAZOLINE AND TRIAZINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1986-04-22 US disclosed
EP-0137228-A2 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1985-04-17 EP disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed
US-4111692-A ALIPHATIC NITROGEN COMPOUND, HALOGEN COMPOUND AS FREE RADICAL GENERATOR TOYO BOSEKI KABUSHIKI KAISHA (JP) 1978-09-05 US disclosed
US-4042388-A FREE RADICAL FORMERS, DYES CANON KABUSHIKI KAISHA (JA) 1977-08-16 US disclosed
US-3942988-A Photosensitive composition containing a polyhalogenated initiator and a cumulene dye former ADDRESSOGRAPH MULTIGRAPH CORPORATION (US) 1976-03-09 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 (3 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-12540848-B2 Ultraviolet inspection tool, ultraviolet inspection kit, and ultraviolet inspection method SULT1A1, SULT2A1, SULT1E1 CA2 2563/4885CA1 626/4885CA9 1083/4885
US-12613133-B2 Inspection tool and inspection method TAS2R30, TAS2R60, TAS2R39 CA2 4400/4885CA1 3446/4885CA9 2313/4885
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone MBTD1, MPST, B2M CA2 1575/4885CA1 3656/4885CA9 2164/4885

“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.