SCHEMBL514657

SCHEMBL514657

[CH2]OCc1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
IDO1 P14902 2/20 0.58
APP P05067 18/20 0.56

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
SCHEMBL508682 0.78 CYP3A4 (0.64) CYP3A4IDO1APP
SCHEMBL9068656 0.76 IDO1 (0.56) CYP3A4IDO1APP
SCHEMBL3165593 0.75 CYP3A4 (0.54) CYP3A4IDO1APP
SCHEMBL513259 0.74 ALDH1A1 (0.50) CYP3A4APP
SCHEMBL514167 0.74 AGXT (0.58) IDO1
SCHEMBL4800547 0.74 IDO1 (0.58) IDO1APP
SCHEMBL1146232 0.74 IDO1 (0.58) IDO1APP
SCHEMBL6383915 0.74 APP (0.62) CYP3A4IDO1APP
SCHEMBL514658 0.74 CYP3A4 (0.58) CYP3A4IDO1APP
SCHEMBL1145421 0.74 IDO1 (0.58) IDO1APP

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
EP-0003261-B1 OXADITHIADIAZAPENTALENES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS CONTAINING THEM AND THE CONTROL OF FUNGI USING THEM CHEVRON RESEARCH COMPANY (US) 1981-12-30 EP disclosed
US-4179441-A REACTING SULFUR HALIDE WITH N-CYANOMETHYLCARBOXAMIDE; CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-12-18 US disclosed
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 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 CYP3A4 2169/4885IDO1 2656/4885APP 4785/4885

“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.